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1-[1-(Benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one
TL;DR: 1-[1-(Benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one (CAS 694484-85-0) is a chemical compound with molecular formula C19H20N2O3S2 and molecular weight 388.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one
Also Known As: CBKinase1_004577, CBKinase1_016977, 1-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one, 1-{[1-(BENZENESULFONYL)-1,3-BENZODIAZOL-2-YL]SULFANYL}-3,3-DIMETHYLBUTAN-2-ONE, 3,3-dimethyl-1-{[1-(phenylsulfonyl)-1H-benzimidazol-2-yl]sulfanyl}butan-2-one
| Molecular Formula | C19H20N2O3S2 |
|---|---|
| Molecular Weight | 388.09 g/mol |
| LogP | 3.9806 |
| Topological Polar Surface Area | 69.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.09152 |
| Heavy Atoms | 26 |
| Complexity | 1049.3278 |
Chemical Identifiers
| CAS Number | 694484-85-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3 |
Product Overview
1-[1-(Benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one (CAS 694484-85-0), with molecular formula C19H20N2O3S2 and molecular weight 388.09 g/mol. IUPAC: 1-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one.
Chemical Property Profile of 1-[1-(Benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one
Property Insights of 1-[1-(Benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one
The XLogP value of 3.9806 indicates that 1-[1-(Benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-(Benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one. Following Lipinski's Rule of Five, 1-[1-(Benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one 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
Frequently Asked Questions
What is the CAS number of 1-[1-(Benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one?
The CAS number of 1-[1-(Benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one is 694484-85-0.
What is the molecular formula of 1-[1-(Benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one?
The molecular formula of 1-[1-(Benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one is C19H20N2O3S2.
What is the molecular weight of 1-[1-(Benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one?
The molecular weight of 1-[1-(Benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one is 388.09 g/mol.
Where can I buy 1-[1-(Benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one?
You can request a quote for 1-[1-(Benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-(Benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(Benzenesulfonyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.