Alanine, N,N-bis(2-chloroethyl)-
TL;DR: Alanine, N,N-bis(2-chloroethyl)- (CAS 13322-66-2) is a chemical compound with molecular formula C7H13Cl2NO2 and molecular weight 213.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-chloroethyl)amino]propanoic acid
Also Known As: Alanine mustard, N,N-Bis(2-chloroethyl)alanine, ALANINE, N,N-BIS(2-CHLOROETHYL)-, 2-(bis(2-chloroethyl)amino)propanoic acid, 2-[bis(2-chloroethyl)amino]propanoic acid
| Molecular Formula | C7H13Cl2NO2 |
|---|---|
| Molecular Weight | 213.03 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 213.03233 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 13322-66-2 |
|---|---|
| SMILES | CC(C(=O)O)N(CCCl)CCCl |
| InChIKey | NRIFCKOLJVDPTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alanine, N,N-bis(2-chloroethyl)- (CAS 13322-66-2), with molecular formula C7H13Cl2NO2 and molecular weight 213.03 g/mol. IUPAC: 2-[bis(2-chloroethyl)amino]propanoic acid.
Chemical Property Profile of Alanine, N,N-bis(2-chloroethyl)-
Property Insights of Alanine, N,N-bis(2-chloroethyl)-
The XLogP value of -0.8 indicates that Alanine, N,N-bis(2-chloroethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, Alanine, N,N-bis(2-chloroethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alanine, N,N-bis(2-chloroethyl)- has 1 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 Alanine, N,N-bis(2-chloroethyl)-?
The CAS number of Alanine, N,N-bis(2-chloroethyl)- is 13322-66-2.
What is the molecular formula of Alanine, N,N-bis(2-chloroethyl)-?
The molecular formula of Alanine, N,N-bis(2-chloroethyl)- is C7H13Cl2NO2.
What is the molecular weight of Alanine, N,N-bis(2-chloroethyl)-?
The molecular weight of Alanine, N,N-bis(2-chloroethyl)- is 213.03 g/mol.
Where can I buy Alanine, N,N-bis(2-chloroethyl)-?
You can request a quote for Alanine, N,N-bis(2-chloroethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, N,N-bis(2-chloroethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, N,N-bis(2-chloroethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.