14-Methyl-15-oxocholest-7-en-3-yl benzoate
TL;DR: 14-Methyl-15-oxocholest-7-en-3-yl benzoate (CAS 2644-93-1) is a chemical compound with molecular formula C35H50O3 and molecular weight 518.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10,13,14-trimethyl-17-(6-methylheptan-2-yl)-15-oxo-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
Also Known As: 14-methyl-15-oxocholest-7-en-3-yl benzoate, [10,13,14-trimethyl-17-(6-methylheptan-2-yl)-15-oxo-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
| Molecular Formula | C35H50O3 |
|---|---|
| Molecular Weight | 518.38 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.376 |
| Heavy Atoms | 38 |
| Complexity | 927.0 |
Chemical Identifiers
| CAS Number | 2644-93-1 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CC(=O)C2(C1(CCC3C2=CCC4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C)C |
| InChIKey | KVEOEQNNONZKIJ-UHFFFAOYSA-N |
Product Overview
14-Methyl-15-oxocholest-7-en-3-yl benzoate (CAS 2644-93-1), with molecular formula C35H50O3 and molecular weight 518.38 g/mol. IUPAC: [10,13,14-trimethyl-17-(6-methylheptan-2-yl)-15-oxo-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate.
Chemical Property Profile of 14-Methyl-15-oxocholest-7-en-3-yl benzoate
Property Insights of 14-Methyl-15-oxocholest-7-en-3-yl benzoate
The XLogP value of 9.4 indicates that 14-Methyl-15-oxocholest-7-en-3-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 14-Methyl-15-oxocholest-7-en-3-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 14-Methyl-15-oxocholest-7-en-3-yl benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 14-Methyl-15-oxocholest-7-en-3-yl benzoate?
The CAS number of 14-Methyl-15-oxocholest-7-en-3-yl benzoate is 2644-93-1.
What is the molecular formula of 14-Methyl-15-oxocholest-7-en-3-yl benzoate?
The molecular formula of 14-Methyl-15-oxocholest-7-en-3-yl benzoate is C35H50O3.
What is the molecular weight of 14-Methyl-15-oxocholest-7-en-3-yl benzoate?
The molecular weight of 14-Methyl-15-oxocholest-7-en-3-yl benzoate is 518.38 g/mol.
Where can I buy 14-Methyl-15-oxocholest-7-en-3-yl benzoate?
You can request a quote for 14-Methyl-15-oxocholest-7-en-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 14-Methyl-15-oxocholest-7-en-3-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 14-Methyl-15-oxocholest-7-en-3-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.