Anthranilic acid, 5-chloro-, butyl ester
TL;DR: Anthranilic acid, 5-chloro-, butyl ester (CAS 18189-08-7) is a chemical compound with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-amino-5-chlorobenzoate
Also Known As: butyl 2-amino-5-chlorobenzoate, Anthranilic acid, 5-chloro-, butyl ester, butyl 2-amino-5-chloro-benzoate, 5-chloroanthranilic acid-n-butyl ester, Benzoic acid, 2-amino-5-chloro-, butyl ester
| Molecular Formula | C11H14ClNO2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.0713 |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 18189-08-7 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C=CC(=C1)Cl)N |
| InChIKey | VGPZVSACUNPIKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Anthranilic acid, 5-chloro-, butyl ester (CAS 18189-08-7), with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol. IUPAC: butyl 2-amino-5-chlorobenzoate.
Chemical Property Profile of Anthranilic acid, 5-chloro-, butyl ester
Property Insights of Anthranilic acid, 5-chloro-, butyl ester
The XLogP value of 4.6 indicates that Anthranilic acid, 5-chloro-, butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Anthranilic acid, 5-chloro-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anthranilic acid, 5-chloro-, butyl ester has 1 hydrogen bond donor(s) and 3 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 Anthranilic acid, 5-chloro-, butyl ester?
The CAS number of Anthranilic acid, 5-chloro-, butyl ester is 18189-08-7.
What is the molecular formula of Anthranilic acid, 5-chloro-, butyl ester?
The molecular formula of Anthranilic acid, 5-chloro-, butyl ester is C11H14ClNO2.
What is the molecular weight of Anthranilic acid, 5-chloro-, butyl ester?
The molecular weight of Anthranilic acid, 5-chloro-, butyl ester is 227.07 g/mol.
Where can I buy Anthranilic acid, 5-chloro-, butyl ester?
You can request a quote for Anthranilic acid, 5-chloro-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anthranilic acid, 5-chloro-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Anthranilic acid, 5-chloro-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.