Methyl (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-24-oate
TL;DR: Methyl (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-24-oate (CAS 17150-40-2) is a chemical compound with molecular formula C25H36O4 and molecular weight 400.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(7-hydroxy-10,14-dimethyl-18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icos-16-en-16-yl)prop-2-enoate
Also Known As: Methyl (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-24-oate, methyl (E)-3-(7-hydroxy-10,14-dimethyl-18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icos-16-en-16-yl)prop-2-enoate
| Molecular Formula | C25H36O4 |
|---|---|
| Molecular Weight | 400.26 g/mol |
| LogP | 4.7721 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.26135 |
| Heavy Atoms | 29 |
| Complexity | 755.9223 |
Chemical Identifiers
| CAS Number | 17150-40-2 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2CCC4(C35CCC4C(=CO5)/C=C/C(=O)OC)C)O |
Product Overview
Methyl (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-24-oate (CAS 17150-40-2), with molecular formula C25H36O4 and molecular weight 400.26 g/mol. IUPAC: methyl (E)-3-(7-hydroxy-10,14-dimethyl-18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icos-16-en-16-yl)prop-2-enoate.
Chemical Property Profile of Methyl (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-24-oate
Property Insights of Methyl (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-24-oate
The XLogP value of 4.7721 indicates that Methyl (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-24-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, Methyl (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-24-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-24-oate has 1 hydrogen bond donor(s) and 4 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 (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-24-oate?
The CAS number of Methyl (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-24-oate is 17150-40-2.
What is the molecular formula of Methyl (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-24-oate?
The molecular formula of Methyl (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-24-oate is C25H36O4.
What is the molecular weight of Methyl (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-24-oate?
The molecular weight of Methyl (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-24-oate is 400.26 g/mol.
Where can I buy Methyl (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-24-oate?
You can request a quote for Methyl (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-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 (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-24-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-24-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.