草灭畏
TL;DR: 草灭畏 (CAS 133-90-4) is a chemical compound with molecular formula C7H5Cl2NO2 and molecular weight 204.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
草灭畏
3-amino-2,5-dichlorobenzoic acid
Also Known As: Chloramben, 3-Amino-2,5-dichlorobenzoic acid, Ambiben, Vegiben, Amibin
| Molecular Formula | C7H5Cl2NO2 |
|---|---|
| Molecular Weight | 204.97 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.96973 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
| Melting Point | 381 to 197.2 °C |
| Solubility | less than 0.1 mg/mL at 72 °F (NTP, 1992) |
| Vapor Pressure | 0.007 mmHg at 100.0 °C |
Chemical Identifiers
| CAS Number | 133-90-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl |
| InChIKey | HSSBORCLYSCBJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
草灭畏 (CAS 133-90-4), with molecular formula C7H5Cl2NO2 and molecular weight 204.97 g/mol. IUPAC: 3-amino-2,5-dichlorobenzoic acid.
Chemical Property Profile of 草灭畏
Property Insights of 草灭畏
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 草灭畏. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 草灭畏. Following Lipinski's Rule of Five, 草灭畏 has 2 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 草灭畏?
The CAS number of 草灭畏 is 133-90-4.
What is the molecular formula of 草灭畏?
The molecular formula of 草灭畏 is C7H5Cl2NO2.
What is the molecular weight of 草灭畏?
The molecular weight of 草灭畏 is 204.97 g/mol.
Where can I buy 草灭畏?
You can request a quote for 草灭畏 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 草灭畏?
Yes, KEHONG BIO provides custom synthesis services for 草灭畏 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.