3-Oxochola-4,6-dien-24-oic Acid
TL;DR: 3-Oxochola-4,6-dien-24-oic Acid (CAS 88179-71-9) is a chemical compound with molecular formula C24H34O3 and molecular weight 370.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
Also Known As: 3-Oxochola-4,6-dien-24-oic Acid, 3-Oxo-4,6-choladien-24-oic acid, (4R)-4-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid, 4-(10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
| Molecular Formula | C24H34O3 |
|---|---|
| Molecular Weight | 370.25 g/mol |
| LogP | 5.4114 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.2508 |
| Heavy Atoms | 27 |
| Complexity | 704.41486 |
Chemical Identifiers
| CAS Number | 88179-71-9 |
|---|---|
| SMILES | CC(CCC(=O)O)C1CCC2C1(CCC3C2C=CC4=CC(=O)CCC34C)C |
Product Overview
3-Oxochola-4,6-dien-24-oic Acid (CAS 88179-71-9), with molecular formula C24H34O3 and molecular weight 370.25 g/mol. IUPAC: 4-(10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid.
Chemical Property Profile of 3-Oxochola-4,6-dien-24-oic Acid
Property Insights of 3-Oxochola-4,6-dien-24-oic Acid
The XLogP value of 5.4114 indicates that 3-Oxochola-4,6-dien-24-oic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 3-Oxochola-4,6-dien-24-oic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxochola-4,6-dien-24-oic Acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Oxochola-4,6-dien-24-oic Acid?
The CAS number of 3-Oxochola-4,6-dien-24-oic Acid is 88179-71-9.
What is the molecular formula of 3-Oxochola-4,6-dien-24-oic Acid?
The molecular formula of 3-Oxochola-4,6-dien-24-oic Acid is C24H34O3.
What is the molecular weight of 3-Oxochola-4,6-dien-24-oic Acid?
The molecular weight of 3-Oxochola-4,6-dien-24-oic Acid is 370.25 g/mol.
Where can I buy 3-Oxochola-4,6-dien-24-oic Acid?
You can request a quote for 3-Oxochola-4,6-dien-24-oic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxochola-4,6-dien-24-oic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxochola-4,6-dien-24-oic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.