(Cholest-5-en-3beta-yl)propanedioic acid
TL;DR: (Cholest-5-en-3beta-yl)propanedioic acid (CAS 6710-20-9) is a chemical compound with molecular formula C30H48O4 and molecular weight 472.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]propanedioic acid
Also Known As: KST-1A7386, (3, A)-cholest-5-en-3-ylpropanedioic acid, A)-cholest-5-en-3-ylpropanedioic acid, Cholest-5-ene-3b-malonic acid (8CI)
| Molecular Formula | C30H48O4 |
|---|---|
| Molecular Weight | 472.36 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.35526 |
| Heavy Atoms | 34 |
| Complexity | 801.0 |
Chemical Identifiers
| CAS Number | 6710-20-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)C(C(=O)O)C(=O)O)C)C |
| InChIKey | JIEJBESLFFLEPM-TVABIKMWSA-N |
Product Overview
(Cholest-5-en-3beta-yl)propanedioic acid (CAS 6710-20-9), with molecular formula C30H48O4 and molecular weight 472.36 g/mol. IUPAC: 2-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]propanedioic acid.
Chemical Property Profile of (Cholest-5-en-3beta-yl)propanedioic acid
Property Insights of (Cholest-5-en-3beta-yl)propanedioic acid
The XLogP value of 9.1 indicates that (Cholest-5-en-3beta-yl)propanedioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (Cholest-5-en-3beta-yl)propanedioic acid. Following Lipinski's Rule of Five, (Cholest-5-en-3beta-yl)propanedioic acid has 2 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 (Cholest-5-en-3beta-yl)propanedioic acid?
The CAS number of (Cholest-5-en-3beta-yl)propanedioic acid is 6710-20-9.
What is the molecular formula of (Cholest-5-en-3beta-yl)propanedioic acid?
The molecular formula of (Cholest-5-en-3beta-yl)propanedioic acid is C30H48O4.
What is the molecular weight of (Cholest-5-en-3beta-yl)propanedioic acid?
The molecular weight of (Cholest-5-en-3beta-yl)propanedioic acid is 472.36 g/mol.
Where can I buy (Cholest-5-en-3beta-yl)propanedioic acid?
You can request a quote for (Cholest-5-en-3beta-yl)propanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Cholest-5-en-3beta-yl)propanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (Cholest-5-en-3beta-yl)propanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.