1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-2-butanone
TL;DR: 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-2-butanone (CAS 26559-22-8) is a chemical compound with molecular formula C13H16N2OS and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethylbutan-2-one
Also Known As: BAS 00631308, 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-2-butanone, 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethylbutan-2-one, AB00088794-01, 1-benzimidazol-2-ylthio-3,3-dimethylbutan-2-one
| Molecular Formula | C13H16N2OS |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.09833 |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 26559-22-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2N1 |
| InChIKey | APWJLMQHQAKTFR-UHFFFAOYSA-N |
Product Overview
1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-2-butanone (CAS 26559-22-8), with molecular formula C13H16N2OS and molecular weight 248.10 g/mol. IUPAC: 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethylbutan-2-one.
Chemical Property Profile of 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-2-butanone
Property Insights of 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-2-butanone
The XLogP value of 3.3 indicates that 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-2-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-2-butanone. Following Lipinski's Rule of Five, 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-2-butanone 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-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-2-butanone?
The CAS number of 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-2-butanone is 26559-22-8.
What is the molecular formula of 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-2-butanone?
The molecular formula of 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-2-butanone is C13H16N2OS.
What is the molecular weight of 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-2-butanone?
The molecular weight of 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-2-butanone is 248.10 g/mol.
Where can I buy 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-2-butanone?
You can request a quote for 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.