Methyl 3-(acetyloxy)-14,21-epoxychol-20-en-24-oate
TL;DR: Methyl 3-(acetyloxy)-14,21-epoxychol-20-en-24-oate (CAS 17150-46-8) is a chemical compound with molecular formula C27H40O5 and molecular weight 444.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(7-acetyloxy-10,14-dimethyl-18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icos-16-en-16-yl)propanoate
Also Known As: Methyl 3-(acetyloxy)-14,21-epoxychol-20-en-24-oate, Methyl 3-(7-acetyloxy-10,14-dimethyl-18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icos-16-en-16-yl)propanoate
| Molecular Formula | C27H40O5 |
|---|---|
| Molecular Weight | 444.29 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.28757 |
| Heavy Atoms | 32 |
| Complexity | 819.0 |
Chemical Identifiers
| CAS Number | 17150-46-8 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C35CCC4C(=CO5)CCC(=O)OC)C)C |
| InChIKey | IKPQTHOKOCCRSJ-UHFFFAOYSA-N |
Product Overview
Methyl 3-(acetyloxy)-14,21-epoxychol-20-en-24-oate (CAS 17150-46-8), with molecular formula C27H40O5 and molecular weight 444.29 g/mol. IUPAC: methyl 3-(7-acetyloxy-10,14-dimethyl-18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icos-16-en-16-yl)propanoate.
Chemical Property Profile of Methyl 3-(acetyloxy)-14,21-epoxychol-20-en-24-oate
Property Insights of Methyl 3-(acetyloxy)-14,21-epoxychol-20-en-24-oate
The XLogP value of 4.8 indicates that Methyl 3-(acetyloxy)-14,21-epoxychol-20-en-24-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(acetyloxy)-14,21-epoxychol-20-en-24-oate. Following Lipinski's Rule of Five, Methyl 3-(acetyloxy)-14,21-epoxychol-20-en-24-oate has 0 hydrogen bond donor(s) and 5 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 Methyl 3-(acetyloxy)-14,21-epoxychol-20-en-24-oate?
The CAS number of Methyl 3-(acetyloxy)-14,21-epoxychol-20-en-24-oate is 17150-46-8.
What is the molecular formula of Methyl 3-(acetyloxy)-14,21-epoxychol-20-en-24-oate?
The molecular formula of Methyl 3-(acetyloxy)-14,21-epoxychol-20-en-24-oate is C27H40O5.
What is the molecular weight of Methyl 3-(acetyloxy)-14,21-epoxychol-20-en-24-oate?
The molecular weight of Methyl 3-(acetyloxy)-14,21-epoxychol-20-en-24-oate is 444.29 g/mol.
Where can I buy Methyl 3-(acetyloxy)-14,21-epoxychol-20-en-24-oate?
You can request a quote for Methyl 3-(acetyloxy)-14,21-epoxychol-20-en-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-(acetyloxy)-14,21-epoxychol-20-en-24-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(acetyloxy)-14,21-epoxychol-20-en-24-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.