2-Amino-3-((4-(bis(2-chloroethyl)amino)phenyl)thio)propanoic acid
TL;DR: 2-Amino-3-((4-(bis(2-chloroethyl)amino)phenyl)thio)propanoic acid (CAS 7147-15-1) is a chemical compound with molecular formula C13H18Cl2N2O2S and molecular weight 336.05 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]sulfanylpropanoic acid
Also Known As: 2-Amino-3-((4-(bis(2-chloroethyl)amino)phenyl)thio)propanoic acid, 5-nitro-1H-indole-3-carbonitrile, S-{4-[Bis(2-chloroethyl)amino]phenyl}cysteine, 2-Amino-3-((4-(bis(2-chloroethyl)-amino)phenyl)thio)propanoic acid, 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylpropanoic acid
| Molecular Formula | C13H18Cl2N2O2S |
|---|---|
| Molecular Weight | 336.05 g/mol |
| LogP | 2.4746 |
| Topological Polar Surface Area | 66.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 336.0466 |
| Heavy Atoms | 20 |
| Complexity | 411.3371 |
Chemical Identifiers
| CAS Number | 7147-15-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N(CCCl)CCCl)SCC(C(=O)O)N |
Product Overview
2-Amino-3-((4-(bis(2-chloroethyl)amino)phenyl)thio)propanoic acid (CAS 7147-15-1), with molecular formula C13H18Cl2N2O2S and molecular weight 336.05 g/mol. IUPAC: 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylpropanoic acid.
Chemical Property Profile of 2-Amino-3-((4-(bis(2-chloroethyl)amino)phenyl)thio)propanoic acid
Property Insights of 2-Amino-3-((4-(bis(2-chloroethyl)amino)phenyl)thio)propanoic acid
The XLogP value of 2.4746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-((4-(bis(2-chloroethyl)amino)phenyl)thio)propanoic acid. The TPSA of 66.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-((4-(bis(2-chloroethyl)amino)phenyl)thio)propanoic acid. Following Lipinski's Rule of Five, 2-Amino-3-((4-(bis(2-chloroethyl)amino)phenyl)thio)propanoic 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 2-Amino-3-((4-(bis(2-chloroethyl)amino)phenyl)thio)propanoic acid?
The CAS number of 2-Amino-3-((4-(bis(2-chloroethyl)amino)phenyl)thio)propanoic acid is 7147-15-1.
What is the molecular formula of 2-Amino-3-((4-(bis(2-chloroethyl)amino)phenyl)thio)propanoic acid?
The molecular formula of 2-Amino-3-((4-(bis(2-chloroethyl)amino)phenyl)thio)propanoic acid is C13H18Cl2N2O2S.
What is the molecular weight of 2-Amino-3-((4-(bis(2-chloroethyl)amino)phenyl)thio)propanoic acid?
The molecular weight of 2-Amino-3-((4-(bis(2-chloroethyl)amino)phenyl)thio)propanoic acid is 336.05 g/mol.
Where can I buy 2-Amino-3-((4-(bis(2-chloroethyl)amino)phenyl)thio)propanoic acid?
You can request a quote for 2-Amino-3-((4-(bis(2-chloroethyl)amino)phenyl)thio)propanoic 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)thio)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-((4-(bis(2-chloroethyl)amino)phenyl)thio)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.