Benzoic acid, 3-((bis(2-chloroethyl)amino)methyl)-4-(formylamino)-
TL;DR: Benzoic acid, 3-((bis(2-chloroethyl)amino)methyl)-4-(formylamino)- (CAS 73344-53-3) is a chemical compound with molecular formula C13H16Cl2N2O3 and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-chloroethyl)aminomethyl]-4-formamidobenzoic acid
Also Known As: Benzoic acid, 3-((bis(2-chloroethyl)amino)methyl)-4-(formylamino)-, 3-((Bis(2-chloroethyl)amino)methyl)-4-(formylamino)benzoic acid, Acidul 4-(formilamino)-3-di(beta-cloretil)-aminometilbenzoic, Acidul 4-(formilamino)-3-di(beta-cloretil)-aminometilbenzoic [Romanian], 3-[bis(2-chloroethyl)aminomethyl]-4-formamidobenzoic acid
| Molecular Formula | C13H16Cl2N2O3 |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 2.2327 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 318.0538 |
| Heavy Atoms | 20 |
| Complexity | 462.92953 |
Chemical Identifiers
| CAS Number | 73344-53-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)CN(CCCl)CCCl)NC=O |
Product Overview
Benzoic acid, 3-((bis(2-chloroethyl)amino)methyl)-4-(formylamino)- (CAS 73344-53-3), with molecular formula C13H16Cl2N2O3 and molecular weight 318.05 g/mol. IUPAC: 3-[bis(2-chloroethyl)aminomethyl]-4-formamidobenzoic acid.
Chemical Property Profile of Benzoic acid, 3-((bis(2-chloroethyl)amino)methyl)-4-(formylamino)-
Property Insights of Benzoic acid, 3-((bis(2-chloroethyl)amino)methyl)-4-(formylamino)-
The XLogP value of 2.2327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-((bis(2-chloroethyl)amino)methyl)-4-(formylamino)-. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-((bis(2-chloroethyl)amino)methyl)-4-(formylamino)-. Following Lipinski's Rule of Five, Benzoic acid, 3-((bis(2-chloroethyl)amino)methyl)-4-(formylamino)- 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 Benzoic acid, 3-((bis(2-chloroethyl)amino)methyl)-4-(formylamino)-?
The CAS number of Benzoic acid, 3-((bis(2-chloroethyl)amino)methyl)-4-(formylamino)- is 73344-53-3.
What is the molecular formula of Benzoic acid, 3-((bis(2-chloroethyl)amino)methyl)-4-(formylamino)-?
The molecular formula of Benzoic acid, 3-((bis(2-chloroethyl)amino)methyl)-4-(formylamino)- is C13H16Cl2N2O3.
What is the molecular weight of Benzoic acid, 3-((bis(2-chloroethyl)amino)methyl)-4-(formylamino)-?
The molecular weight of Benzoic acid, 3-((bis(2-chloroethyl)amino)methyl)-4-(formylamino)- is 318.05 g/mol.
Where can I buy Benzoic acid, 3-((bis(2-chloroethyl)amino)methyl)-4-(formylamino)-?
You can request a quote for Benzoic acid, 3-((bis(2-chloroethyl)amino)methyl)-4-(formylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-((bis(2-chloroethyl)amino)methyl)-4-(formylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-((bis(2-chloroethyl)amino)methyl)-4-(formylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.