Methyl3alpha-acetoxy-5beta-chol-9(11)-en-24-oate
TL;DR: Methyl3alpha-acetoxy-5beta-chol-9(11)-en-24-oate (CAS 30365-63-0) is a chemical compound with molecular formula C27H42O4 and molecular weight 430.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Also Known As: methyl3alpha-acetoxy-5beta-chol-9(11)-en-24-oate, methyl 4-(3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
| Molecular Formula | C27H42O4 |
|---|---|
| Molecular Weight | 430.31 g/mol |
| LogP | 6.0864 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.30832 |
| Heavy Atoms | 31 |
| Complexity | 741.5185 |
Chemical Identifiers
| CAS Number | 30365-63-0 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(CC=C3C2CCC4C3(CCC(C4)OC(=O)C)C)C |
Product Overview
Methyl3alpha-acetoxy-5beta-chol-9(11)-en-24-oate (CAS 30365-63-0), with molecular formula C27H42O4 and molecular weight 430.31 g/mol. IUPAC: methyl 4-(3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate.
Chemical Property Profile of Methyl3alpha-acetoxy-5beta-chol-9(11)-en-24-oate
Property Insights of Methyl3alpha-acetoxy-5beta-chol-9(11)-en-24-oate
The XLogP value of 6.0864 indicates that Methyl3alpha-acetoxy-5beta-chol-9(11)-en-24-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl3alpha-acetoxy-5beta-chol-9(11)-en-24-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl3alpha-acetoxy-5beta-chol-9(11)-en-24-oate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl3alpha-acetoxy-5beta-chol-9(11)-en-24-oate?
The CAS number of Methyl3alpha-acetoxy-5beta-chol-9(11)-en-24-oate is 30365-63-0.
What is the molecular formula of Methyl3alpha-acetoxy-5beta-chol-9(11)-en-24-oate?
The molecular formula of Methyl3alpha-acetoxy-5beta-chol-9(11)-en-24-oate is C27H42O4.
What is the molecular weight of Methyl3alpha-acetoxy-5beta-chol-9(11)-en-24-oate?
The molecular weight of Methyl3alpha-acetoxy-5beta-chol-9(11)-en-24-oate is 430.31 g/mol.
Where can I buy Methyl3alpha-acetoxy-5beta-chol-9(11)-en-24-oate?
You can request a quote for Methyl3alpha-acetoxy-5beta-chol-9(11)-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 Methyl3alpha-acetoxy-5beta-chol-9(11)-en-24-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl3alpha-acetoxy-5beta-chol-9(11)-en-24-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.