![2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid structure](/static/products/6972/6972-97-0.webp)
2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid
TL;DR: 2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid (CAS 6972-97-0) is a chemical compound with molecular formula C13H18Cl2N2O4S and molecular weight 368.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid
Also Known As: 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid, 3-{4-[Bis(2-chloroethyl)amino]benzene-1-sulfonyl}alanine
| Molecular Formula | C13H18Cl2N2O4S |
|---|---|
| Molecular Weight | 368.04 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 368.03644 |
| Heavy Atoms | 22 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 6972-97-0 |
|---|---|
| SMILES | C1=CC(=CC=C1N(CCCl)CCCl)S(=O)(=O)CC(C(=O)O)N |
| InChIKey | JEEKRENZVVWZTM-UHFFFAOYSA-N |
Product Overview
2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid (CAS 6972-97-0), with molecular formula C13H18Cl2N2O4S and molecular weight 368.04 g/mol. IUPAC: 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid.
Chemical Property Profile of 2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid
Property Insights of 2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid
The XLogP value of -1.1 indicates that 2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid. Following Lipinski's Rule of Five, 2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid has 2 hydrogen bond donor(s) and 6 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 2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid?
The CAS number of 2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid is 6972-97-0.
What is the molecular formula of 2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid?
The molecular formula of 2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid is C13H18Cl2N2O4S.
What is the molecular weight of 2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid?
The molecular weight of 2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid is 368.04 g/mol.
Where can I buy 2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid?
You can request a quote for 2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.