AI-204/33265032
TL;DR: AI-204/33265032 (CAS 79134-13-7) is a chemical compound with molecular formula C12H8N4O2S and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-nitro-2-pyridinyl)sulfanyl]-1H-benzimidazole
Also Known As: 2-(5-nitropyridin-2-yl)sulfanyl-1H-benzimidazole, AI-204/33265032, 2-({5-nitro-2-pyridinyl}sulfanyl)-1H-benzimidazole, 2-[(5-Nitro-2-pyridyl)thio]-1H-benzimidazole, 2-[(5-Nitropyridin-2-yl)sulfanyl]-1H-1,3-benzimidazole
| Molecular Formula | C12H8N4O2S |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0368 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 79134-13-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SC3=NC=C(C=C3)[N+](=O)[O-] |
| InChIKey | VNSVXIFNTLTYDL-UHFFFAOYSA-N |
Product Overview
AI-204/33265032 (CAS 79134-13-7), with molecular formula C12H8N4O2S and molecular weight 272.04 g/mol. IUPAC: 2-[(5-nitro-2-pyridinyl)sulfanyl]-1H-benzimidazole.
Chemical Property Profile of AI-204/33265032
Property Insights of AI-204/33265032
The XLogP value of 3.0 indicates that AI-204/33265032 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AI-204/33265032. Following Lipinski's Rule of Five, AI-204/33265032 has 1 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 AI-204/33265032?
The CAS number of AI-204/33265032 is 79134-13-7.
What is the molecular formula of AI-204/33265032?
The molecular formula of AI-204/33265032 is C12H8N4O2S.
What is the molecular weight of AI-204/33265032?
The molecular weight of AI-204/33265032 is 272.04 g/mol.
Where can I buy AI-204/33265032?
You can request a quote for AI-204/33265032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-204/33265032?
Yes, KEHONG BIO provides custom synthesis services for AI-204/33265032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.