Benzimidazole mustard
TL;DR: Benzimidazole mustard (CAS 6898-43-7) is a chemical compound with molecular formula C14H20Cl3N3 and molecular weight 335.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl)-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]azanium chloride
Also Known As: Benzimidazole mustard, Dimethylbenzimidazole mustard, Benzimidazole methylene mustard, SKI 24482, CB 40042
| Molecular Formula | C14H20Cl3N3 |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | -0.95 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.0723 |
| Heavy Atoms | 20 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 6898-43-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N=C(N2)C[NH+](CCCl)CCCl.[Cl-] |
| InChIKey | XWCWNNVWJHNJHP-UHFFFAOYSA-N |
Product Overview
Benzimidazole mustard (CAS 6898-43-7), with molecular formula C14H20Cl3N3 and molecular weight 335.07 g/mol. IUPAC: bis(2-chloroethyl)-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]azanium chloride.
Chemical Property Profile of Benzimidazole mustard
Property Insights of Benzimidazole mustard
The XLogP value of -0.95 indicates that Benzimidazole mustard is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.1 Ų, Benzimidazole mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzimidazole mustard has 2 hydrogen bond donor(s) and 2 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 Benzimidazole mustard?
The CAS number of Benzimidazole mustard is 6898-43-7.
What is the molecular formula of Benzimidazole mustard?
The molecular formula of Benzimidazole mustard is C14H20Cl3N3.
What is the molecular weight of Benzimidazole mustard?
The molecular weight of Benzimidazole mustard is 335.07 g/mol.
Where can I buy Benzimidazole mustard?
You can request a quote for Benzimidazole mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole mustard?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.