1-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole
TL;DR: 1-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole (CAS 835890-98-7) is a chemical compound with molecular formula C18H19ClN2O3S and molecular weight 378.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole
Also Known As: 1-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole, 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole, 1-[(5,6-dimethylbenzimidazolyl)sulfonyl]-5-chloro-2-ethoxy-4-methylbenzene
| Molecular Formula | C18H19ClN2O3S |
|---|---|
| Molecular Weight | 378.08 g/mol |
| LogP | 4.25066 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.0805 |
| Heavy Atoms | 25 |
| Complexity | 1071.605 |
Chemical Identifiers
| CAS Number | 835890-98-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2C=NC3=C2C=C(C(=C3)C)C |
Product Overview
1-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole (CAS 835890-98-7), with molecular formula C18H19ClN2O3S and molecular weight 378.08 g/mol. IUPAC: 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole.
Chemical Property Profile of 1-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole
Property Insights of 1-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole
The XLogP value of 4.25066 indicates that 1-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole. Following Lipinski's Rule of Five, 1-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole 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
Frequently Asked Questions
What is the CAS number of 1-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole?
The CAS number of 1-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole is 835890-98-7.
What is the molecular formula of 1-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole?
The molecular formula of 1-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole is C18H19ClN2O3S.
What is the molecular weight of 1-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole?
The molecular weight of 1-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole is 378.08 g/mol.
Where can I buy 1-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole?
You can request a quote for 1-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.