2-(6-methoxy-2-thioxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone
TL;DR: 2-(6-methoxy-2-thioxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone (CAS 900018-71-5) is a chemical compound with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)-1-phenylethanone
Also Known As: 7L-843, 2-(6-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)-1-phenylethanone, 2-(6-methoxy-2-thioxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone, 2-(6-methoxy-2-sulfanylidene-3H-benzoimidazol-1-yl)-1-phenyl-ethanone, 2-(6-methoxy-2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-1-phenylethan-1-one
| Molecular Formula | C16H14N2O2S |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 3.59039 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.0776 |
| Heavy Atoms | 21 |
| Complexity | 849.58954 |
Chemical Identifiers
| CAS Number | 900018-71-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC(=S)N2CC(=O)C3=CC=CC=C3 |
Product Overview
2-(6-methoxy-2-thioxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone (CAS 900018-71-5), with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol. IUPAC: 2-(6-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)-1-phenylethanone.
Chemical Property Profile of 2-(6-methoxy-2-thioxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone
Property Insights of 2-(6-methoxy-2-thioxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone
The XLogP value of 3.59039 indicates that 2-(6-methoxy-2-thioxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.02 Ų, 2-(6-methoxy-2-thioxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-methoxy-2-thioxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone 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 2-(6-methoxy-2-thioxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone?
The CAS number of 2-(6-methoxy-2-thioxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone is 900018-71-5.
What is the molecular formula of 2-(6-methoxy-2-thioxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone?
The molecular formula of 2-(6-methoxy-2-thioxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone is C16H14N2O2S.
What is the molecular weight of 2-(6-methoxy-2-thioxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone?
The molecular weight of 2-(6-methoxy-2-thioxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone is 298.08 g/mol.
Where can I buy 2-(6-methoxy-2-thioxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone?
You can request a quote for 2-(6-methoxy-2-thioxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-methoxy-2-thioxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-methoxy-2-thioxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-1-phenyl-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.