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Methyl [3-(acetyloxy)-14,21-epoxypregn-20-en-20-yl]acetate
TL;DR: Methyl [3-(acetyloxy)-14,21-epoxypregn-20-en-20-yl]acetate (CAS 23353-50-6) is a chemical compound with molecular formula C26H38O5 and molecular weight 430.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(7-acetyloxy-10,14-dimethyl-18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icos-16-en-16-yl)acetate
Also Known As: Methyl [3-(acetyloxy)-14,21-epoxypregn-20-en-20-yl]acetate, Methyl 2-(7-acetyloxy-10,14-dimethyl-18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icos-16-en-16-yl)acetate
| Molecular Formula | C26H38O5 |
|---|---|
| Molecular Weight | 430.27 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.2719 |
| Heavy Atoms | 31 |
| Complexity | 804.0 |
Chemical Identifiers
| CAS Number | 23353-50-6 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C35CCC4C(=CO5)CC(=O)OC)C)C |
| InChIKey | NEDOMCRYHZWTMI-UHFFFAOYSA-N |
Product Overview
Methyl [3-(acetyloxy)-14,21-epoxypregn-20-en-20-yl]acetate (CAS 23353-50-6), with molecular formula C26H38O5 and molecular weight 430.27 g/mol. IUPAC: methyl 2-(7-acetyloxy-10,14-dimethyl-18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icos-16-en-16-yl)acetate.
Chemical Property Profile of Methyl [3-(acetyloxy)-14,21-epoxypregn-20-en-20-yl]acetate
Property Insights of Methyl [3-(acetyloxy)-14,21-epoxypregn-20-en-20-yl]acetate
The XLogP value of 4.5 indicates that Methyl [3-(acetyloxy)-14,21-epoxypregn-20-en-20-yl]acetate 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-epoxypregn-20-en-20-yl]acetate. Following Lipinski's Rule of Five, Methyl [3-(acetyloxy)-14,21-epoxypregn-20-en-20-yl]acetate 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-epoxypregn-20-en-20-yl]acetate?
The CAS number of Methyl [3-(acetyloxy)-14,21-epoxypregn-20-en-20-yl]acetate is 23353-50-6.
What is the molecular formula of Methyl [3-(acetyloxy)-14,21-epoxypregn-20-en-20-yl]acetate?
The molecular formula of Methyl [3-(acetyloxy)-14,21-epoxypregn-20-en-20-yl]acetate is C26H38O5.
What is the molecular weight of Methyl [3-(acetyloxy)-14,21-epoxypregn-20-en-20-yl]acetate?
The molecular weight of Methyl [3-(acetyloxy)-14,21-epoxypregn-20-en-20-yl]acetate is 430.27 g/mol.
Where can I buy Methyl [3-(acetyloxy)-14,21-epoxypregn-20-en-20-yl]acetate?
You can request a quote for Methyl [3-(acetyloxy)-14,21-epoxypregn-20-en-20-yl]acetate 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-epoxypregn-20-en-20-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [3-(acetyloxy)-14,21-epoxypregn-20-en-20-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.