Deoxycholic Acid Impurity 39
TL;DR: Deoxycholic Acid Impurity 39 (CAS 65065-56-7) is a chemical compound with molecular formula C25H38O4 and molecular weight 402.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
Also Known As: Deoxycholic Acid Impurity 39, 5beta-chol-9(11)-enic acid-3alpha-ol-12-one methyl ester, 9(11),(5beta)-Cholenic acid-3alpha-ol-12-one methyl ester, Methyl 3alpha-hydroxy-5beta-chol-9(11)-en-12-one-24-oate, methyl(3
| Molecular Formula | C25H38O4 |
|---|---|
| Molecular Weight | 402.28 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.277 |
| Heavy Atoms | 29 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 65065-56-7 |
|---|---|
| SMILES | C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(C(=O)C=C3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C |
| InChIKey | OFUOIZWAZDUXAZ-WPYIARLMSA-N |
Product Overview
Deoxycholic Acid Impurity 39 (CAS 65065-56-7), with molecular formula C25H38O4 and molecular weight 402.28 g/mol. IUPAC: methyl (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate.
Chemical Property Profile of Deoxycholic Acid Impurity 39
Property Insights of Deoxycholic Acid Impurity 39
The XLogP value of 4.6 indicates that Deoxycholic Acid Impurity 39 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxycholic Acid Impurity 39. Following Lipinski's Rule of Five, Deoxycholic Acid Impurity 39 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deoxycholic Acid Impurity 39?
The CAS number of Deoxycholic Acid Impurity 39 is 65065-56-7.
What is the molecular formula of Deoxycholic Acid Impurity 39?
The molecular formula of Deoxycholic Acid Impurity 39 is C25H38O4.
What is the molecular weight of Deoxycholic Acid Impurity 39?
The molecular weight of Deoxycholic Acid Impurity 39 is 402.28 g/mol.
Where can I buy Deoxycholic Acid Impurity 39?
You can request a quote for Deoxycholic Acid Impurity 39 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxycholic Acid Impurity 39?
Yes, KEHONG BIO provides custom synthesis services for Deoxycholic Acid Impurity 39 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.