![Benzoic acid, 4-[[bis(2-chloroethyl)amino]methyl]- structure](/static/products/6264/62642-65-3.webp)
Benzoic acid, 4-[[bis(2-chloroethyl)amino]methyl]-
TL;DR: Benzoic acid, 4-[[bis(2-chloroethyl)amino]methyl]- (CAS 62642-65-3) is a chemical compound with molecular formula C12H15Cl2NO2 and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)aminomethyl]benzoic acid
Also Known As: 4-[bis(2-chloroethyl)aminomethyl]benzoic acid, Benzoic acid, 4-[[bis(2-chloroethyl)amino]methyl]-, 4-[N,N-Bis(2-chloroethyl)aminomethyl]benzoic acid, 4-{[BIS(2-CHLOROETHYL)AMINO]METHYL}BENZOIC ACID
| Molecular Formula | C12H15Cl2NO2 |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.04797 |
| Heavy Atoms | 17 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 62642-65-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CN(CCCl)CCCl)C(=O)O |
| InChIKey | WEUPMYMFLVXLJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-[[bis(2-chloroethyl)amino]methyl]- (CAS 62642-65-3), with molecular formula C12H15Cl2NO2 and molecular weight 275.05 g/mol. IUPAC: 4-[bis(2-chloroethyl)aminomethyl]benzoic acid.
Chemical Property Profile of Benzoic acid, 4-[[bis(2-chloroethyl)amino]methyl]-
Property Insights of Benzoic acid, 4-[[bis(2-chloroethyl)amino]methyl]-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-[[bis(2-chloroethyl)amino]methyl]-. With a topological polar surface area (TPSA) of 40.5 Ų, Benzoic acid, 4-[[bis(2-chloroethyl)amino]methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-[[bis(2-chloroethyl)amino]methyl]- 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, 4-[[bis(2-chloroethyl)amino]methyl]-?
The CAS number of Benzoic acid, 4-[[bis(2-chloroethyl)amino]methyl]- is 62642-65-3.
What is the molecular formula of Benzoic acid, 4-[[bis(2-chloroethyl)amino]methyl]-?
The molecular formula of Benzoic acid, 4-[[bis(2-chloroethyl)amino]methyl]- is C12H15Cl2NO2.
What is the molecular weight of Benzoic acid, 4-[[bis(2-chloroethyl)amino]methyl]-?
The molecular weight of Benzoic acid, 4-[[bis(2-chloroethyl)amino]methyl]- is 275.05 g/mol.
Where can I buy Benzoic acid, 4-[[bis(2-chloroethyl)amino]methyl]-?
You can request a quote for Benzoic acid, 4-[[bis(2-chloroethyl)amino]methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[[bis(2-chloroethyl)amino]methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[[bis(2-chloroethyl)amino]methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.