Phenyl 2-(phenylcarbonylthio)benzimidazolyl ketone
TL;DR: Phenyl 2-(phenylcarbonylthio)benzimidazolyl ketone (CAS 17362-26-4) is a chemical compound with molecular formula C21H14N2O2S and molecular weight 358.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(1-benzoylbenzimidazol-2-yl) benzenecarbothioate
Also Known As: phenyl 2-(phenylcarbonylthio)benzimidazolyl ketone, S-(1-benzoylbenzimidazol-2-yl) benzenecarbothioate, (2-benzoylsulfanylbenzoimidazol-1-yl)-phenyl-methanone, S-(1-Benzoyl-1H-benzimidazol-2-yl) benzenecarbothioate, Benzenecarbothioic acid, S-(1-benzoyl-1H-benzimidazol-2-yl) ester
| Molecular Formula | C21H14N2O2S |
|---|---|
| Molecular Weight | 358.08 g/mol |
| LogP | 4.6573 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.0776 |
| Heavy Atoms | 26 |
| Complexity | 1088.922 |
Chemical Identifiers
| CAS Number | 17362-26-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=C2SC(=O)C4=CC=CC=C4 |
Product Overview
Phenyl 2-(phenylcarbonylthio)benzimidazolyl ketone (CAS 17362-26-4), with molecular formula C21H14N2O2S and molecular weight 358.08 g/mol. IUPAC: S-(1-benzoylbenzimidazol-2-yl) benzenecarbothioate.
Chemical Property Profile of Phenyl 2-(phenylcarbonylthio)benzimidazolyl ketone
Property Insights of Phenyl 2-(phenylcarbonylthio)benzimidazolyl ketone
The XLogP value of 4.6573 indicates that Phenyl 2-(phenylcarbonylthio)benzimidazolyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, Phenyl 2-(phenylcarbonylthio)benzimidazolyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 2-(phenylcarbonylthio)benzimidazolyl ketone 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 Phenyl 2-(phenylcarbonylthio)benzimidazolyl ketone?
The CAS number of Phenyl 2-(phenylcarbonylthio)benzimidazolyl ketone is 17362-26-4.
What is the molecular formula of Phenyl 2-(phenylcarbonylthio)benzimidazolyl ketone?
The molecular formula of Phenyl 2-(phenylcarbonylthio)benzimidazolyl ketone is C21H14N2O2S.
What is the molecular weight of Phenyl 2-(phenylcarbonylthio)benzimidazolyl ketone?
The molecular weight of Phenyl 2-(phenylcarbonylthio)benzimidazolyl ketone is 358.08 g/mol.
Where can I buy Phenyl 2-(phenylcarbonylthio)benzimidazolyl ketone?
You can request a quote for Phenyl 2-(phenylcarbonylthio)benzimidazolyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2-(phenylcarbonylthio)benzimidazolyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2-(phenylcarbonylthio)benzimidazolyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.