4-Methylcholest-4-en-3-one
TL;DR: 4-Methylcholest-4-en-3-one (CAS 20521-91-9) is a chemical compound with molecular formula C28H46O and molecular weight 398.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,10,13-trimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 4-Methylcholest-4-en-3-one, 4-Methyl-cholest-4-en-3-on, Cholest-4-en-3-one, 4-methyl-, 4,10,13-trimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one, RefChem:294564
| Molecular Formula | C28H46O |
|---|---|
| Molecular Weight | 398.35 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.35486 |
| Heavy Atoms | 29 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 20521-91-9 |
|---|---|
| SMILES | CC1=C2CCC3C4CCC(C4(CCC3C2(CCC1=O)C)C)C(C)CCCC(C)C |
| InChIKey | VWIGOBCYZDKRDK-UHFFFAOYSA-N |
Product Overview
4-Methylcholest-4-en-3-one (CAS 20521-91-9), with molecular formula C28H46O and molecular weight 398.35 g/mol. IUPAC: 4,10,13-trimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 4-Methylcholest-4-en-3-one
Property Insights of 4-Methylcholest-4-en-3-one
The XLogP value of 8.9 indicates that 4-Methylcholest-4-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Methylcholest-4-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylcholest-4-en-3-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Methylcholest-4-en-3-one?
The CAS number of 4-Methylcholest-4-en-3-one is 20521-91-9.
What is the molecular formula of 4-Methylcholest-4-en-3-one?
The molecular formula of 4-Methylcholest-4-en-3-one is C28H46O.
What is the molecular weight of 4-Methylcholest-4-en-3-one?
The molecular weight of 4-Methylcholest-4-en-3-one is 398.35 g/mol.
Where can I buy 4-Methylcholest-4-en-3-one?
You can request a quote for 4-Methylcholest-4-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylcholest-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylcholest-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.