Benzoic acid, m-(bis(2-chloroethyl)amino)-
TL;DR: Benzoic acid, m-(bis(2-chloroethyl)amino)- (CAS 3085-98-1) 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.
3-[bis(2-chloroethyl)amino]benzoic acid
Also Known As: 3-(Bis benzoicacid, m-(Bis(2-chloroethyl)amino)benzoic acid, 3-(Bis(2-chloroethyl)amino)benzoic acid, Benzoic acid, 3-(bis(2-chloroethyl)amino)-, BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-
| Molecular Formula | C11H13Cl2NO2 |
|---|---|
| Molecular Weight | 261.03 g/mol |
| LogP | 2.8 |
| 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 | 3085-98-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N(CCCl)CCCl)C(=O)O |
| InChIKey | WVXYNWIVVDXMJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, m-(bis(2-chloroethyl)amino)- (CAS 3085-98-1), with molecular formula C11H13Cl2NO2 and molecular weight 261.03 g/mol. IUPAC: 3-[bis(2-chloroethyl)amino]benzoic acid.
Chemical Property Profile of Benzoic acid, m-(bis(2-chloroethyl)amino)-
Property Insights of Benzoic acid, m-(bis(2-chloroethyl)amino)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, m-(bis(2-chloroethyl)amino)-. With a topological polar surface area (TPSA) of 40.5 Ų, Benzoic acid, m-(bis(2-chloroethyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, m-(bis(2-chloroethyl)amino)- 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 Benzoic acid, m-(bis(2-chloroethyl)amino)-?
The CAS number of Benzoic acid, m-(bis(2-chloroethyl)amino)- is 3085-98-1.
What is the molecular formula of Benzoic acid, m-(bis(2-chloroethyl)amino)-?
The molecular formula of Benzoic acid, m-(bis(2-chloroethyl)amino)- is C11H13Cl2NO2.
What is the molecular weight of Benzoic acid, m-(bis(2-chloroethyl)amino)-?
The molecular weight of Benzoic acid, m-(bis(2-chloroethyl)amino)- is 261.03 g/mol.
Where can I buy Benzoic acid, m-(bis(2-chloroethyl)amino)-?
You can request a quote for Benzoic acid, m-(bis(2-chloroethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, m-(bis(2-chloroethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, m-(bis(2-chloroethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.