5-(Bis(2-chloroethyl)amino)-1-methylbenzimidazolyl-2-acetic acid methyl ester
TL;DR: 5-(Bis(2-chloroethyl)amino)-1-methylbenzimidazolyl-2-acetic acid methyl ester (CAS 134426-36-1) is a chemical compound with molecular formula C15H19Cl2N3O2 and molecular weight 343.08542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]acetate
Also Known As: 5-Bcmba, 5-(Bis(2-chloroethyl)amino)-1-methylbenzimidazolyl-2-acetic acid methyl ester, methyl 2-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]acetate, Methyl 5-(bis(2-chloroethyl)amino)-1-methyl-1H-benzimidazole-2-acetate, 1H-Benzimidazole-2-acetic acid, 5-(bis(2-chloroethyl)amino)-1-methyl-, methyl ester
Technical Specifications
| Molecular Formula | C15H19Cl2N3O2 |
| Molecular Weight | 343.08542 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 47.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 343.08542 Da |
| Heavy Atoms | 22 |
| Complexity | 367.0 |
| SMILES | CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CC(=O)OC |
| InChIKey | HYCJNQJFVUSIND-UHFFFAOYSA-N |
Chemical Property Profile of 5-(Bis(2-chloroethyl)amino)-1-methylbenzimidazolyl-2-acetic acid methyl ester
Property Insights of 5-(Bis(2-chloroethyl)amino)-1-methylbenzimidazolyl-2-acetic acid methyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Bis(2-chloroethyl)amino)-1-methylbenzimidazolyl-2-acetic acid methyl ester. With a topological polar surface area (TPSA) of 47.4 Ų, 5-(Bis(2-chloroethyl)amino)-1-methylbenzimidazolyl-2-acetic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Bis(2-chloroethyl)amino)-1-methylbenzimidazolyl-2-acetic acid methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(Bis(2-chloroethyl)amino)-1-methylbenzimidazolyl-2-acetic acid methyl ester?
The CAS number of 5-(Bis(2-chloroethyl)amino)-1-methylbenzimidazolyl-2-acetic acid methyl ester is 134426-36-1.
What is the molecular formula of 5-(Bis(2-chloroethyl)amino)-1-methylbenzimidazolyl-2-acetic acid methyl ester?
The molecular formula of 5-(Bis(2-chloroethyl)amino)-1-methylbenzimidazolyl-2-acetic acid methyl ester is C15H19Cl2N3O2.
What is the molecular weight of 5-(Bis(2-chloroethyl)amino)-1-methylbenzimidazolyl-2-acetic acid methyl ester?
The molecular weight of 5-(Bis(2-chloroethyl)amino)-1-methylbenzimidazolyl-2-acetic acid methyl ester is 343.08542 g/mol.
Where can I buy 5-(Bis(2-chloroethyl)amino)-1-methylbenzimidazolyl-2-acetic acid methyl ester?
You can request a quote for 5-(Bis(2-chloroethyl)amino)-1-methylbenzimidazolyl-2-acetic acid methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Bis(2-chloroethyl)amino)-1-methylbenzimidazolyl-2-acetic acid methyl ester?
Yes, CoreyChem provides custom synthesis services for 5-(Bis(2-chloroethyl)amino)-1-methylbenzimidazolyl-2-acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.