3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine
TL;DR: 3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine (CAS 6940-98-3) is a chemical compound with molecular formula C14H20Cl2N2O4S and molecular weight 382.05 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]methylsulfonyl]propanoic acid
Also Known As: ALANINE, L-, 3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine, 3-p-Bis(2-chloroethyl)amino benzylsulfonyl-L-alanine, ALANINE, beta-(p-(BIS(2-CHLOROETHYL)AMINO)BENZYLSULFONYL)-, L-, 3-[p-[Bis(2-chloroethyl)amino]benzylsulfonyl]-L-alanine
| Molecular Formula | C14H20Cl2N2O4S |
|---|---|
| Molecular Weight | 382.05 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 382.0521 |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 6940-98-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CS(=O)(=O)CC(C(=O)O)N)N(CCCl)CCCl |
| InChIKey | YDMMNUBREJUGOU-UHFFFAOYSA-N |
Product Overview
3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine (CAS 6940-98-3), with molecular formula C14H20Cl2N2O4S and molecular weight 382.05 g/mol. IUPAC: 2-amino-3-[[4-[bis(2-chloroethyl)amino]phenyl]methylsulfonyl]propanoic acid.
Chemical Property Profile of 3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine
Property Insights of 3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine
The XLogP value of -1.2 indicates that 3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine 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 3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine. Following Lipinski's Rule of Five, 3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine 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 3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine?
The CAS number of 3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine is 6940-98-3.
What is the molecular formula of 3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine?
The molecular formula of 3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine is C14H20Cl2N2O4S.
What is the molecular weight of 3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine?
The molecular weight of 3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine is 382.05 g/mol.
Where can I buy 3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine?
You can request a quote for 3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine?
Yes, KEHONG BIO provides custom synthesis services for 3-(p-(Bis(2-chloroethyl)amino)benzylsulfonyl)-L-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.