Cholesta-7,14-dien-3-yl benzoate
TL;DR: Cholesta-7,14-dien-3-yl benzoate (CAS 20748-22-5) 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)-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
Also Known As: Cholesta-7,14-dien-3-yl benzoate, 2-amino-but-2-enoic acid, [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate, 17- -10,13-DIMETHYL-2,3,4,5,6,9,10,11,12,13,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YLBENZOATE, 17-(1,5-Dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl benzoat
| Molecular Formula | C34H48O2 |
|---|---|
| Molecular Weight | 488.37 g/mol |
| LogP | 9.1735 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.36542 |
| Heavy Atoms | 36 |
| Complexity | 1003.268 |
Chemical Identifiers
| CAS Number | 20748-22-5 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CC=C2C1(CCC3C2=CCC4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C |
Product Overview
Cholesta-7,14-dien-3-yl benzoate (CAS 20748-22-5), with molecular formula C34H48O2 and molecular weight 488.37 g/mol. IUPAC: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate.
Chemical Property Profile of Cholesta-7,14-dien-3-yl benzoate
Property Insights of Cholesta-7,14-dien-3-yl benzoate
The XLogP value of 9.1735 indicates that Cholesta-7,14-dien-3-yl benzoate 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-7,14-dien-3-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesta-7,14-dien-3-yl benzoate 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-7,14-dien-3-yl benzoate?
The CAS number of Cholesta-7,14-dien-3-yl benzoate is 20748-22-5.
What is the molecular formula of Cholesta-7,14-dien-3-yl benzoate?
The molecular formula of Cholesta-7,14-dien-3-yl benzoate is C34H48O2.
What is the molecular weight of Cholesta-7,14-dien-3-yl benzoate?
The molecular weight of Cholesta-7,14-dien-3-yl benzoate is 488.37 g/mol.
Where can I buy Cholesta-7,14-dien-3-yl benzoate?
You can request a quote for Cholesta-7,14-dien-3-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesta-7,14-dien-3-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for Cholesta-7,14-dien-3-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.