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Csn-B

Csn-B structure

CAS No:
321661-62-5
Formula:
C18H26O5
Chemical Name:
Csn-B
Synonyms:
3,5-Dihydroxy-2-(1-oxooctyl)benzeneacetic acid ethyl ester;3,5-Dihydroxy-2-(1-oxooctyl)-benzeneacetic acid, ethyl ester;Csn-B;Cytosporone B;ethyl 2-(3,5-dihydroxy-2-octanoylphenyl)acetate;Benzeneacetic acid, 3,5-dihydroxy-2-(1-oxooctyl)-, ethyl ester;N-{2-[(3-CYANO-5,7-DIMETHYL-2-QUINOLINYL)AMINO]ETHYL}-3-METHOXYBENZAMIDE;Ethyl 3,5-dihydroxy-2-(1-oxooctyl)-benzeneacetate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

2-[3,5-dihydroxy-2-(1-oxooctyl)phenyl]acetic acid ethyl ester is an aromatic ketone.

Csn-B Basic Attributes

Molecular Weight：

322.4

Exact Mass：

322.17802393

DSSTox ID：

DTXSID80443557

Characteristics

Density：

1.126±0.06 g/cm3

Boiling Point：

471.6±24.0 °C(Predicted)

PKA：

7.54±0.40

Safety Information

wgk germany：

hazard class code：

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

Csn-B

Computed Properties

Molecular Weight:322.4
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:322.17802393
Monoisotopic Mass:322.17802393
Topological Polar Surface Area:83.8
Heavy Atom Count:23
Complexity:368
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes