Methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate
TL;DR: Methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate (CAS 29419-54-3) is a chemical compound with molecular formula C29H44O7 and molecular weight 504.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3,7-diacetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
Also Known As: BAS 00417547, methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate, methyl 4-(3,7-diacetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
| Molecular Formula | C29H44O7 |
|---|---|
| Molecular Weight | 504.31 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 504.30872 |
| Heavy Atoms | 36 |
| Complexity | 898.0 |
Chemical Identifiers
| CAS Number | 29419-54-3 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)OC(=O)C)C)OC(=O)C)C |
| InChIKey | GVIZCQOBODPSLY-UHFFFAOYSA-N |
Product Overview
Methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate (CAS 29419-54-3), with molecular formula C29H44O7 and molecular weight 504.31 g/mol. IUPAC: methyl 4-(3,7-diacetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate.
Chemical Property Profile of Methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate
Property Insights of Methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate
The XLogP value of 4.7 indicates that Methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate. Following Lipinski's Rule of Five, Methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate?
The CAS number of Methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate is 29419-54-3.
What is the molecular formula of Methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate?
The molecular formula of Methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate is C29H44O7.
What is the molecular weight of Methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate?
The molecular weight of Methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate is 504.31 g/mol.
Where can I buy Methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate?
You can request a quote for Methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,7-bis(acetyloxy)-12-oxocholan-24-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.