1-(4-chloro-2,5-dimethoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole
TL;DR: 1-(4-chloro-2,5-dimethoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole (CAS 691381-40-5) is a chemical compound with molecular formula C17H17ClN2O4S and molecular weight 380.05975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
Also Known As: CBKinase1_004618, CBKinase1_017018, AP-263/42234229, 1-(4-chloro-2,5-dimethoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole, 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
Technical Specifications
| Molecular Formula | C17H17ClN2O4S |
| Molecular Weight | 380.05975 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 78.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.05975 Da |
| Heavy Atoms | 25 |
| Complexity | 569.0 |
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)S(=O)(=O)C3=C(C=C(C(=C3)OC)Cl)OC |
| InChIKey | KERKPTQNNNKHCR-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-chloro-2,5-dimethoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole
Property Insights of 1-(4-chloro-2,5-dimethoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole
The XLogP value of 4.0 indicates that 1-(4-chloro-2,5-dimethoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chloro-2,5-dimethoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole. Following Lipinski's Rule of Five, 1-(4-chloro-2,5-dimethoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(4-chloro-2,5-dimethoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole?
The CAS number of 1-(4-chloro-2,5-dimethoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole is 691381-40-5.
What is the molecular formula of 1-(4-chloro-2,5-dimethoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole?
The molecular formula of 1-(4-chloro-2,5-dimethoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole is C17H17ClN2O4S.
What is the molecular weight of 1-(4-chloro-2,5-dimethoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole?
The molecular weight of 1-(4-chloro-2,5-dimethoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole is 380.05975 g/mol.
Where can I buy 1-(4-chloro-2,5-dimethoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole?
You can request a quote for 1-(4-chloro-2,5-dimethoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-chloro-2,5-dimethoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole?
Yes, CoreyChem provides custom synthesis services for 1-(4-chloro-2,5-dimethoxybenzenesulfonyl)-5,6-dimethyl-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.