4-Methylcholest-4-en-3-yl acetate
TL;DR: 4-Methylcholest-4-en-3-yl acetate (CAS 5329-93-1) is a chemical compound with molecular formula C30H50O2 and molecular weight 442.38 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)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 4-methylcholest-4-en-3-yl acetate, 3-acetoxy-25,26,27-trinorlanostane-7,11-dione-24-carboxylic acid methyl ester, [(8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate, [4,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C30H50O2 |
|---|---|
| Molecular Weight | 442.38 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.38107 |
| Heavy Atoms | 32 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 5329-93-1 |
|---|---|
| SMILES | CC1=C2CCC3C4CCC(C4(CCC3C2(CCC1OC(=O)C)C)C)C(C)CCCC(C)C |
| InChIKey | VWSVBIDALISGLC-UHFFFAOYSA-N |
Product Overview
4-Methylcholest-4-en-3-yl acetate (CAS 5329-93-1), with molecular formula C30H50O2 and molecular weight 442.38 g/mol. IUPAC: [4,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 4-Methylcholest-4-en-3-yl acetate
Property Insights of 4-Methylcholest-4-en-3-yl acetate
The XLogP value of 9.1 indicates that 4-Methylcholest-4-en-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methylcholest-4-en-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylcholest-4-en-3-yl acetate 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 4-Methylcholest-4-en-3-yl acetate?
The CAS number of 4-Methylcholest-4-en-3-yl acetate is 5329-93-1.
What is the molecular formula of 4-Methylcholest-4-en-3-yl acetate?
The molecular formula of 4-Methylcholest-4-en-3-yl acetate is C30H50O2.
What is the molecular weight of 4-Methylcholest-4-en-3-yl acetate?
The molecular weight of 4-Methylcholest-4-en-3-yl acetate is 442.38 g/mol.
Where can I buy 4-Methylcholest-4-en-3-yl acetate?
You can request a quote for 4-Methylcholest-4-en-3-yl acetate 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-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylcholest-4-en-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.