AO-476/42678321
TL;DR: AO-476/42678321 (CAS 678985-03-0) is a chemical compound with molecular formula C16H16N6O3S2 and molecular weight 404.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: AO-476/42678321, 2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide, 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide, N-[4-(aminosulfonyl)phenyl]-2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide
| Molecular Formula | C16H16N6O3S2 |
|---|---|
| Molecular Weight | 404.07 g/mol |
| LogP | 1.2553 |
| Topological Polar Surface Area | 132.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.07254 |
| Heavy Atoms | 27 |
| Complexity | 1049.5195 |
Chemical Identifiers
| CAS Number | 678985-03-0 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=NC=C3 |
Product Overview
AO-476/42678321 (CAS 678985-03-0), with molecular formula C16H16N6O3S2 and molecular weight 404.07 g/mol. IUPAC: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of AO-476/42678321
Property Insights of AO-476/42678321
The XLogP value of 1.2553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-476/42678321. The TPSA of 132.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-476/42678321. Following Lipinski's Rule of Five, AO-476/42678321 has 2 hydrogen bond donor(s) and 7 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 AO-476/42678321?
The CAS number of AO-476/42678321 is 678985-03-0.
What is the molecular formula of AO-476/42678321?
The molecular formula of AO-476/42678321 is C16H16N6O3S2.
What is the molecular weight of AO-476/42678321?
The molecular weight of AO-476/42678321 is 404.07 g/mol.
Where can I buy AO-476/42678321?
You can request a quote for AO-476/42678321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-476/42678321?
Yes, KEHONG BIO provides custom synthesis services for AO-476/42678321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.