Butyl 3-chloro-4-cyclohexyl-gamma-oxobenzenebutanoate
TL;DR: Butyl 3-chloro-4-cyclohexyl-gamma-oxobenzenebutanoate (CAS 37707-72-5) is a chemical compound with molecular formula C20H27ClO3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoate
Also Known As: Butyl 3-chloro-4-cyclohexyl-gamma-oxobenzenebutanoate, butyl 4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoate, 3-Chloro-4-cyclohexyl-gamma-oxobenzenebutanoic acid butyl ester, Benzenebutanoic acid, 3-chloro-4-cyclohexyl-gamma-oxo-, butyl ester, BRN 2901483
| Molecular Formula | C20H27ClO3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 350.1649 |
| Heavy Atoms | 24 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 37707-72-5 |
|---|---|
| SMILES | CCCCOC(=O)CCC(=O)C1=CC(=C(C=C1)C2CCCCC2)Cl |
| InChIKey | QUTJMMYPVUTMTP-UHFFFAOYSA-N |
Product Overview
Butyl 3-chloro-4-cyclohexyl-gamma-oxobenzenebutanoate (CAS 37707-72-5), with molecular formula C20H27ClO3 and molecular weight 350.16 g/mol. IUPAC: butyl 4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoate.
Chemical Property Profile of Butyl 3-chloro-4-cyclohexyl-gamma-oxobenzenebutanoate
Property Insights of Butyl 3-chloro-4-cyclohexyl-gamma-oxobenzenebutanoate
The XLogP value of 5.8 indicates that Butyl 3-chloro-4-cyclohexyl-gamma-oxobenzenebutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Butyl 3-chloro-4-cyclohexyl-gamma-oxobenzenebutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 3-chloro-4-cyclohexyl-gamma-oxobenzenebutanoate 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 Butyl 3-chloro-4-cyclohexyl-gamma-oxobenzenebutanoate?
The CAS number of Butyl 3-chloro-4-cyclohexyl-gamma-oxobenzenebutanoate is 37707-72-5.
What is the molecular formula of Butyl 3-chloro-4-cyclohexyl-gamma-oxobenzenebutanoate?
The molecular formula of Butyl 3-chloro-4-cyclohexyl-gamma-oxobenzenebutanoate is C20H27ClO3.
What is the molecular weight of Butyl 3-chloro-4-cyclohexyl-gamma-oxobenzenebutanoate?
The molecular weight of Butyl 3-chloro-4-cyclohexyl-gamma-oxobenzenebutanoate is 350.16 g/mol.
Where can I buy Butyl 3-chloro-4-cyclohexyl-gamma-oxobenzenebutanoate?
You can request a quote for Butyl 3-chloro-4-cyclohexyl-gamma-oxobenzenebutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 3-chloro-4-cyclohexyl-gamma-oxobenzenebutanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 3-chloro-4-cyclohexyl-gamma-oxobenzenebutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.