alpha-Amino-4-(bis(2-chloroethyl)amino)benzenebutanoic acid
TL;DR: alpha-Amino-4-(bis(2-chloroethyl)amino)benzenebutanoic acid (CAS 3688-35-5) is a chemical compound with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid
Also Known As: Aminochlorambucil, aminochloroambucil, C. B. 1385, CB 1385, 2-amino-4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid
| Molecular Formula | C14H20Cl2N2O2 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 318.09018 |
| Heavy Atoms | 20 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 3688-35-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC(C(=O)O)N)N(CCCl)CCCl |
| InChIKey | WBIFEHLOTPXXKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Amino-4-(bis(2-chloroethyl)amino)benzenebutanoic acid (CAS 3688-35-5), with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol. IUPAC: 2-amino-4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid.
Chemical Property Profile of alpha-Amino-4-(bis(2-chloroethyl)amino)benzenebutanoic acid
Property Insights of alpha-Amino-4-(bis(2-chloroethyl)amino)benzenebutanoic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Amino-4-(bis(2-chloroethyl)amino)benzenebutanoic acid. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Amino-4-(bis(2-chloroethyl)amino)benzenebutanoic acid. Following Lipinski's Rule of Five, alpha-Amino-4-(bis(2-chloroethyl)amino)benzenebutanoic acid has 2 hydrogen bond donor(s) and 4 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 alpha-Amino-4-(bis(2-chloroethyl)amino)benzenebutanoic acid?
The CAS number of alpha-Amino-4-(bis(2-chloroethyl)amino)benzenebutanoic acid is 3688-35-5.
What is the molecular formula of alpha-Amino-4-(bis(2-chloroethyl)amino)benzenebutanoic acid?
The molecular formula of alpha-Amino-4-(bis(2-chloroethyl)amino)benzenebutanoic acid is C14H20Cl2N2O2.
What is the molecular weight of alpha-Amino-4-(bis(2-chloroethyl)amino)benzenebutanoic acid?
The molecular weight of alpha-Amino-4-(bis(2-chloroethyl)amino)benzenebutanoic acid is 318.09 g/mol.
Where can I buy alpha-Amino-4-(bis(2-chloroethyl)amino)benzenebutanoic acid?
You can request a quote for alpha-Amino-4-(bis(2-chloroethyl)amino)benzenebutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Amino-4-(bis(2-chloroethyl)amino)benzenebutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-Amino-4-(bis(2-chloroethyl)amino)benzenebutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.