Isobutyl 2-chlorobenzoate
TL;DR: Isobutyl 2-chlorobenzoate (CAS 373-61-5) is a chemical compound with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-chlorobenzoate
Also Known As: Isobutyl 2-chlorobenzoate, 2-methylpropyl 2-chlorobenzoate, isobutyl o-chlorobenzoate, o-Chlorobenzoic acid isobutyl ester, ORTHO CHLORO ISOBUTYLBENZOATE
| Molecular Formula | C11H13ClO2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.06041 |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 373-61-5 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC=CC=C1Cl |
| InChIKey | BESGEXPDWNNBJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl 2-chlorobenzoate (CAS 373-61-5), with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol. IUPAC: 2-methylpropyl 2-chlorobenzoate.
Chemical Property Profile of Isobutyl 2-chlorobenzoate
Property Insights of Isobutyl 2-chlorobenzoate
The XLogP value of 3.7 indicates that Isobutyl 2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl 2-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 2-chlorobenzoate 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 Isobutyl 2-chlorobenzoate?
The CAS number of Isobutyl 2-chlorobenzoate is 373-61-5.
What is the molecular formula of Isobutyl 2-chlorobenzoate?
The molecular formula of Isobutyl 2-chlorobenzoate is C11H13ClO2.
What is the molecular weight of Isobutyl 2-chlorobenzoate?
The molecular weight of Isobutyl 2-chlorobenzoate is 212.06 g/mol.
Where can I buy Isobutyl 2-chlorobenzoate?
You can request a quote for Isobutyl 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.