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(2S,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

(2S,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one structure

CAS No:
42399-49-5
Formula:
C16H15NO3S
Chemical Name:
(2S,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Synonyms:
1,5-Benzothiazepin-4(5H)-one,2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-,(2S,3S)-;1,5-Benzothiazepin-4(5H)-one,2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-,(2S-cis)-;(2S,3S)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one;(2S,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one;110073-02-4
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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(2S,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one Basic Attributes

Molecular Weight：

301.36000

Exact Mass：

301.36

EC Number：

255-799-0

UNII：

6RN4N3305M

DSSTox ID：

DTXSID6057744

HScode：

2934999090

Characteristics

PSA：

83.86000

XLogP3：

2.97960

Appearance：

white to slightly beige powder

Density：

1.303g/cm3

Melting Point：

208-210 °C

Boiling Point：

545.4ºC at 760mmHg

Flash Point：

283.7ºC

Refractive Index：

114 ° (C=0.5, MeOH)

Water Solubility：

6.2 [ug/mL]

Storage Conditions：

Refrigerator

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

GHS Classification：

|Warning|H315 (97.67%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 52 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:301.4
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:301.07726451
Monoisotopic Mass:301.07726451
Topological Polar Surface Area:83.9
Heavy Atom Count:21
Complexity:371
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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(2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

CAS No.: 42399-49-5

Content: 99.00%

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Guide of (2S,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

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