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Methyl deoxycholate

Methyl deoxycholate structure

CAS No:
3245-38-3
Formula:
C25H42O4
Chemical Name:
Methyl deoxycholate
Synonyms:
Cholan-24-oic acid,3,12-dihydroxy-,methyl ester,(3α,5β,12α)-;5β-Cholan-24-oic acid,3α,12α-dihydroxy-,methyl ester;Deoxycholic acid,methyl ester;Desoxycholic acid,methyl ester;Methyl 3α,12α-dihydroxy-5β-cholanoate;Methyl deoxycholate;Methyl 3α,12α-dihydroxy-5β-cholan-24-oate;Methyl 7-deoxycholate;NSC 22957
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

White Crystalline Solid

Methyl deoxycholate Basic Attributes

Molecular Weight：

406.59900

Exact Mass：

406.60

EC Number：

221-819-1

Characteristics

PSA：

66.76000

XLogP3：

4.56630

Density：

1.089 g/cm3

Melting Point：

92-93 °C

Boiling Point：

507.6ºC at 760 mmHg

Flash Point：

162.1ºC

Refractive Index：

1.525

Computed Properties

Molecular Weight:406.6
XLogP3:5.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:406.30830982
Monoisotopic Mass:406.30830982
Topological Polar Surface Area:66.8
Heavy Atom Count:29
Complexity:620
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Methyl desoxycholate

Unit Price: $300-310 /G EXW

CAS No.: 3245-38-3

Grade: Industrial Grade

Content: 98%

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