Isopropyl 5-amino-2-chlorobenzoate
TL;DR: Isopropyl 5-amino-2-chlorobenzoate (CAS 88161-12-0) is a chemical compound with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-amino-2-chlorobenzoate
Also Known As: isopropyl 5-amino-2-chlorobenzoate, UNIROYAL ANALOG, propan-2-yl 5-amino-2-chlorobenzoate, Isopropyl-5-amino-2-chlorobenzoate, isopropyl 5-amino-2-chloro-benzoate
| Molecular Formula | C10H12ClNO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.05565 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 88161-12-0 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C=CC(=C1)N)Cl |
| InChIKey | XEHDGJHIPJRFLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 5-amino-2-chlorobenzoate (CAS 88161-12-0), with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol. IUPAC: propan-2-yl 5-amino-2-chlorobenzoate.
Chemical Property Profile of Isopropyl 5-amino-2-chlorobenzoate
Property Insights of Isopropyl 5-amino-2-chlorobenzoate
The XLogP value of 3.5 indicates that Isopropyl 5-amino-2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Isopropyl 5-amino-2-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 5-amino-2-chlorobenzoate 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 Isopropyl 5-amino-2-chlorobenzoate?
The CAS number of Isopropyl 5-amino-2-chlorobenzoate is 88161-12-0.
What is the molecular formula of Isopropyl 5-amino-2-chlorobenzoate?
The molecular formula of Isopropyl 5-amino-2-chlorobenzoate is C10H12ClNO2.
What is the molecular weight of Isopropyl 5-amino-2-chlorobenzoate?
The molecular weight of Isopropyl 5-amino-2-chlorobenzoate is 213.06 g/mol.
Where can I buy Isopropyl 5-amino-2-chlorobenzoate?
You can request a quote for Isopropyl 5-amino-2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 5-amino-2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 5-amino-2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.