Methyl diacetylchenodesoxycholate
TL;DR: Methyl diacetylchenodesoxycholate (CAS 60384-30-7) is a chemical compound with molecular formula C29H46O6 and molecular weight 490.33 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-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Also Known As: Methyl diacetylchenodesoxycholate, AmbscPOD_07/0854, Methyl 3,7-bis(acetyloxy)cholan-24-oate, Chenodeoxycholic acid diacetate methyl ester, A,7
| Molecular Formula | C29H46O6 |
|---|---|
| Molecular Weight | 490.33 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.32944 |
| Heavy Atoms | 35 |
| Complexity | 824.0 |
Chemical Identifiers
| CAS Number | 60384-30-7 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)OC(=O)C)C)OC(=O)C)C |
| InChIKey | ZKHVKSAMEUAGEN-UHFFFAOYSA-N |
Product Overview
Methyl diacetylchenodesoxycholate (CAS 60384-30-7), with molecular formula C29H46O6 and molecular weight 490.33 g/mol. IUPAC: methyl 4-(3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate.
Chemical Property Profile of Methyl diacetylchenodesoxycholate
Property Insights of Methyl diacetylchenodesoxycholate
The XLogP value of 6.4 indicates that Methyl diacetylchenodesoxycholate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl diacetylchenodesoxycholate. Following Lipinski's Rule of Five, Methyl diacetylchenodesoxycholate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl diacetylchenodesoxycholate?
The CAS number of Methyl diacetylchenodesoxycholate is 60384-30-7.
What is the molecular formula of Methyl diacetylchenodesoxycholate?
The molecular formula of Methyl diacetylchenodesoxycholate is C29H46O6.
What is the molecular weight of Methyl diacetylchenodesoxycholate?
The molecular weight of Methyl diacetylchenodesoxycholate is 490.33 g/mol.
Where can I buy Methyl diacetylchenodesoxycholate?
You can request a quote for Methyl diacetylchenodesoxycholate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl diacetylchenodesoxycholate?
Yes, KEHONG BIO provides custom synthesis services for Methyl diacetylchenodesoxycholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.