Anthranilic acid, N,N-bis(2-chloroethyl)-
TL;DR: Anthranilic acid, N,N-bis(2-chloroethyl)- (CAS 3085-99-2) is a chemical compound with molecular formula C11H13Cl2NO2 and molecular weight 261.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-chloroethyl)amino]benzoic acid
Also Known As: N,N-Bis(2-chloroethyl)anthranilic acid, 2-(Bis(2-chloroethyl)amino)benzoic acid, 2-[bis(2-chloroethyl)amino]benzoic acid, ANTHRANILIC ACID, N,N-BIS(2-CHLOROETHYL)-, Benzoic acid, 2-[bis(2-chloroethyl)amino]-
| Molecular Formula | C11H13Cl2NO2 |
|---|---|
| Molecular Weight | 261.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.03235 |
| Heavy Atoms | 16 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 3085-99-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)N(CCCl)CCCl |
| InChIKey | UXUKWLCXNDMFIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Anthranilic acid, N,N-bis(2-chloroethyl)- (CAS 3085-99-2), with molecular formula C11H13Cl2NO2 and molecular weight 261.03 g/mol. IUPAC: 2-[bis(2-chloroethyl)amino]benzoic acid.
Chemical Property Profile of Anthranilic acid, N,N-bis(2-chloroethyl)-
Property Insights of Anthranilic acid, N,N-bis(2-chloroethyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anthranilic acid, N,N-bis(2-chloroethyl)-. With a topological polar surface area (TPSA) of 40.5 Ų, Anthranilic acid, N,N-bis(2-chloroethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anthranilic acid, N,N-bis(2-chloroethyl)- 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, N,N-bis(2-chloroethyl)-?
The CAS number of Anthranilic acid, N,N-bis(2-chloroethyl)- is 3085-99-2.
What is the molecular formula of Anthranilic acid, N,N-bis(2-chloroethyl)-?
The molecular formula of Anthranilic acid, N,N-bis(2-chloroethyl)- is C11H13Cl2NO2.
What is the molecular weight of Anthranilic acid, N,N-bis(2-chloroethyl)-?
The molecular weight of Anthranilic acid, N,N-bis(2-chloroethyl)- is 261.03 g/mol.
Where can I buy Anthranilic acid, N,N-bis(2-chloroethyl)-?
You can request a quote for Anthranilic acid, N,N-bis(2-chloroethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anthranilic acid, N,N-bis(2-chloroethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Anthranilic acid, N,N-bis(2-chloroethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.