1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
TL;DR: 1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide (CAS 749902-32-7) is a chemical compound with molecular formula C13H19N3O2S2 and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-N,N-dimethyl-2-sulfanylidene-3H-benzimidazole-5-sulfonamide
Also Known As: 1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide, 1-butyl-2-mercapto-N,N-dimethyl-1H-benzimidazole-5-sulfonamide, 1-butyl-N,N-dimethyl-2-sulfanylidene-3H-benzimidazole-5-sulfonamide, 1-butyl-N,N-dimethyl-2-thioxo-3H-benzimidazole-5-sulfonamide, 1-butyl-N,N-dimethyl-2-sulfanylidene-3H-1,3-benzodiazole-5-sulfonamide
| Molecular Formula | C13H19N3O2S2 |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 2.74929 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.09186 |
| Heavy Atoms | 20 |
| Complexity | 772.5004 |
Chemical Identifiers
| CAS Number | 749902-32-7 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)NC1=S |
Product Overview
1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide (CAS 749902-32-7), with molecular formula C13H19N3O2S2 and molecular weight 313.09 g/mol. IUPAC: 1-butyl-N,N-dimethyl-2-sulfanylidene-3H-benzimidazole-5-sulfonamide.
Chemical Property Profile of 1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
Property Insights of 1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
The XLogP value of 2.74929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide. With a topological polar surface area (TPSA) of 58.1 Ų, 1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide has 1 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 1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide?
The CAS number of 1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide is 749902-32-7.
What is the molecular formula of 1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide?
The molecular formula of 1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide is C13H19N3O2S2.
What is the molecular weight of 1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide?
The molecular weight of 1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide is 313.09 g/mol.
Where can I buy 1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide?
You can request a quote for 1-butyl-N,N-dimethyl-2-sulfanyl-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 1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.