Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)-
TL;DR: Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)- (CAS 73680-54-3) is a chemical compound with molecular formula C14H18Cl2N4O2 and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-2-[6-[bis(2-chloroethyl)amino]-1H-benzimidazol-2-yl]propanoic acid
Also Known As: 2-(5-(Bis-(2-chloroethyl)amino)-2-benzimidazolyl)alanine, ALANINE, 2-(5-(BIS(2-CHLOROETHYL)AMINO)-2-BENZIMIDAZOLYL)-, beta-(5-(6)-Bis-(beta'-chloroaethyl)-aminobenzimidazolyl-(2))-DL-alanin [German], beta-(5-(6)-Bis-(beta'-chloroaethyl)-aminobenzimidazolyl-(2))-DL-alanin, 2-{6-[Bis(2-chloroethyl)amino]-1H-benzimidazol-2-yl}alanine
| Molecular Formula | C14H18Cl2N4O2 |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 344.0807 |
| Heavy Atoms | 22 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 73680-54-3 |
|---|---|
| SMILES | CC(C1=NC2=C(N1)C=C(C=C2)N(CCCl)CCCl)(C(=O)O)N |
| InChIKey | NAGXSOYAKRVKRE-UHFFFAOYSA-N |
Product Overview
Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)- (CAS 73680-54-3), with molecular formula C14H18Cl2N4O2 and molecular weight 344.08 g/mol. IUPAC: 2-amino-2-[6-[bis(2-chloroethyl)amino]-1H-benzimidazol-2-yl]propanoic acid.
Chemical Property Profile of Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)-
Property Insights of Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)-
The XLogP value of -0.6 indicates that Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)-. Following Lipinski's Rule of Five, Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)- has 3 hydrogen bond donor(s) and 5 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, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)-?
The CAS number of Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)- is 73680-54-3.
What is the molecular formula of Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)-?
The molecular formula of Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)- is C14H18Cl2N4O2.
What is the molecular weight of Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)-?
The molecular weight of Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)- is 344.08 g/mol.
Where can I buy Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)-?
You can request a quote for Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.