Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)-
TL;DR: Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)- (CAS 25485-34-1) is a chemical compound with molecular formula C34H48O2 and molecular weight 488.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
Also Known As: 4,6-Cholestadien-3beta-ol, benzoate, cholesta-4,6-dien-3-yl benzoate, Cholesta-4,6-dien-3beta-yl benzoate, Cholesta-4,6-dien-3-ol, benzoate, (3beta)-, Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)-
| Molecular Formula | C34H48O2 |
|---|---|
| Molecular Weight | 488.37 g/mol |
| LogP | 10.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.36542 |
| Heavy Atoms | 36 |
| Complexity | 847.0 |
Chemical Identifiers
| CAS Number | 25485-34-1 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2C=CC4=CC(CCC34C)OC(=O)C5=CC=CC=C5)C |
| InChIKey | KJRLFFDMSLSIGS-UHFFFAOYSA-N |
Product Overview
Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)- (CAS 25485-34-1), with molecular formula C34H48O2 and molecular weight 488.37 g/mol. IUPAC: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate.
Chemical Property Profile of Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)-
Property Insights of Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)-
The XLogP value of 10.6 indicates that Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)- has 0 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 Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)-?
The CAS number of Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)- is 25485-34-1.
What is the molecular formula of Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)-?
The molecular formula of Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)- is C34H48O2.
What is the molecular weight of Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)-?
The molecular weight of Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)- is 488.37 g/mol.
Where can I buy Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)-?
You can request a quote for Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)-?
Yes, KEHONG BIO provides custom synthesis services for Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.