Nnc 92-1687
TL;DR: Nnc 92-1687 (CAS 22903-37-3) is a chemical compound with molecular formula C15H12N2O3S and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone
Also Known As: NNC 92-1687, 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone, NNC-92-1687, 2-(3,4-dihydroxyphenacylthio)-benzimidazole, J1.051.692G
| Molecular Formula | C15H12N2O3S |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 2.9491 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.05685 |
| Heavy Atoms | 21 |
| Complexity | 780.5389 |
Chemical Identifiers
| CAS Number | 22903-37-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=CC(=C(C=C3)O)O |
Product Overview
Nnc 92-1687 (CAS 22903-37-3), with molecular formula C15H12N2O3S and molecular weight 300.06 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone.
Chemical Property Profile of Nnc 92-1687
Property Insights of Nnc 92-1687
The XLogP value of 2.9491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nnc 92-1687. The TPSA of 86.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Nnc 92-1687. Following Lipinski's Rule of Five, Nnc 92-1687 has 3 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 Nnc 92-1687?
The CAS number of Nnc 92-1687 is 22903-37-3.
What is the molecular formula of Nnc 92-1687?
The molecular formula of Nnc 92-1687 is C15H12N2O3S.
What is the molecular weight of Nnc 92-1687?
The molecular weight of Nnc 92-1687 is 300.06 g/mol.
Where can I buy Nnc 92-1687?
You can request a quote for Nnc 92-1687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nnc 92-1687?
Yes, KEHONG BIO provides custom synthesis services for Nnc 92-1687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.