Butanoic acid, 4-chloro-, 1-methylpropyl ester
TL;DR: Butanoic acid, 4-chloro-, 1-methylpropyl ester (CAS 88736-76-9) is a chemical compound with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 4-chlorobutanoate
Also Known As: butan-2-yl 4-chlorobutanoate, Butanoic acid, 4-chloro-, 1-methylpropyl ester, Butanoic acid, 4-chloro, 1-methylpropyl ester, Butanoic acid,4-chloro,1-methylpropyl ester
| Molecular Formula | C8H15ClO2 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 178.07605 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 88736-76-9 |
|---|---|
| SMILES | CCC(C)OC(=O)CCCCl |
| InChIKey | MNQRSRRISUUYTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 4-chloro-, 1-methylpropyl ester (CAS 88736-76-9), with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol. IUPAC: butan-2-yl 4-chlorobutanoate.
Chemical Property Profile of Butanoic acid, 4-chloro-, 1-methylpropyl ester
Property Insights of Butanoic acid, 4-chloro-, 1-methylpropyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4-chloro-, 1-methylpropyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 4-chloro-, 1-methylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 4-chloro-, 1-methylpropyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanoic acid, 4-chloro-, 1-methylpropyl ester?
The CAS number of Butanoic acid, 4-chloro-, 1-methylpropyl ester is 88736-76-9.
What is the molecular formula of Butanoic acid, 4-chloro-, 1-methylpropyl ester?
The molecular formula of Butanoic acid, 4-chloro-, 1-methylpropyl ester is C8H15ClO2.
What is the molecular weight of Butanoic acid, 4-chloro-, 1-methylpropyl ester?
The molecular weight of Butanoic acid, 4-chloro-, 1-methylpropyl ester is 178.08 g/mol.
Where can I buy Butanoic acid, 4-chloro-, 1-methylpropyl ester?
You can request a quote for Butanoic acid, 4-chloro-, 1-methylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-chloro-, 1-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-chloro-, 1-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.