Cholest-5-en-3-yl 2-chloro-2-methylbutanoate
TL;DR: Cholest-5-en-3-yl 2-chloro-2-methylbutanoate (CAS 7512-62-1) is a chemical compound with molecular formula C32H53ClO2 and molecular weight 504.37 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)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-chloro-2-methylbutanoate
Also Known As: Cholest-5-en-3-yl 2-chloro-2-methylbutanoate, [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-chloro-2-methylbutanoate
| Molecular Formula | C32H53ClO2 |
|---|---|
| Molecular Weight | 504.37 g/mol |
| LogP | 10.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 504.3734 |
| Heavy Atoms | 35 |
| Complexity | 803.0 |
Chemical Identifiers
| CAS Number | 7512-62-1 |
|---|---|
| SMILES | CCC(C)(C(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C)Cl |
| InChIKey | WTMHEESDADWHBN-UHFFFAOYSA-N |
Product Overview
Cholest-5-en-3-yl 2-chloro-2-methylbutanoate (CAS 7512-62-1), with molecular formula C32H53ClO2 and molecular weight 504.37 g/mol. IUPAC: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-chloro-2-methylbutanoate.
Chemical Property Profile of Cholest-5-en-3-yl 2-chloro-2-methylbutanoate
Property Insights of Cholest-5-en-3-yl 2-chloro-2-methylbutanoate
The XLogP value of 10.9 indicates that Cholest-5-en-3-yl 2-chloro-2-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cholest-5-en-3-yl 2-chloro-2-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-5-en-3-yl 2-chloro-2-methylbutanoate 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 Cholest-5-en-3-yl 2-chloro-2-methylbutanoate?
The CAS number of Cholest-5-en-3-yl 2-chloro-2-methylbutanoate is 7512-62-1.
What is the molecular formula of Cholest-5-en-3-yl 2-chloro-2-methylbutanoate?
The molecular formula of Cholest-5-en-3-yl 2-chloro-2-methylbutanoate is C32H53ClO2.
What is the molecular weight of Cholest-5-en-3-yl 2-chloro-2-methylbutanoate?
The molecular weight of Cholest-5-en-3-yl 2-chloro-2-methylbutanoate is 504.37 g/mol.
Where can I buy Cholest-5-en-3-yl 2-chloro-2-methylbutanoate?
You can request a quote for Cholest-5-en-3-yl 2-chloro-2-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholest-5-en-3-yl 2-chloro-2-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Cholest-5-en-3-yl 2-chloro-2-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.