2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide
TL;DR: 2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide (CAS 730951-12-9) is a chemical compound with molecular formula C12H16ClN3O2S and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
Also Known As: 2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide, 2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-benzimidazole-5-sulfonamide, 2-(chloromethyl)-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide, 2-(CHLOROMETHYL)-1-ETHYL-N,N-DIMETHYL-1,3-BENZODIAZOLE-5-SULFONAMIDE
| Molecular Formula | C12H16ClN3O2S |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | 2.0453 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.0652 |
| Heavy Atoms | 19 |
| Complexity | 707.07794 |
Chemical Identifiers
| CAS Number | 730951-12-9 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCl |
Product Overview
2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide (CAS 730951-12-9), with molecular formula C12H16ClN3O2S and molecular weight 301.07 g/mol. IUPAC: 2-(chloromethyl)-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide.
Chemical Property Profile of 2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide
Property Insights of 2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide
The XLogP value of 2.0453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide. With a topological polar surface area (TPSA) of 55.2 Ų, 2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide has 0 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 2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide?
The CAS number of 2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide is 730951-12-9.
What is the molecular formula of 2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide?
The molecular formula of 2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide is C12H16ClN3O2S.
What is the molecular weight of 2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide?
The molecular weight of 2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide is 301.07 g/mol.
Where can I buy 2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide?
You can request a quote for 2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(chloromethyl)-1-ethyl-N,N-dimethyl-1H-1,3-benzodiazole-5-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.