AB00682906-01
TL;DR: AB00682906-01 (CAS 780813-07-2) is a chemical compound with molecular formula C12H11FN4O3S and molecular weight 310.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-fluorophenyl)propanamide
Also Known As: AB00682906-01, F3111-4567, 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)-N-(4-fluorophenyl)propanamide, 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-fluorophenyl)propanamide, N-(4-Fluorophenyl)-2-[(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)thio]propanamide
| Molecular Formula | C12H11FN4O3S |
|---|---|
| Molecular Weight | 310.05 g/mol |
| LogP | 0.7166 |
| Topological Polar Surface Area | 107.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.0536 |
| Heavy Atoms | 21 |
| Complexity | 756.08813 |
Chemical Identifiers
| CAS Number | 780813-07-2 |
|---|---|
| SMILES | CC(C(=O)NC1=CC=C(C=C1)F)SC2=NNC(=O)NC2=O |
Product Overview
AB00682906-01 (CAS 780813-07-2), with molecular formula C12H11FN4O3S and molecular weight 310.05 g/mol. IUPAC: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-fluorophenyl)propanamide.
Chemical Property Profile of AB00682906-01
Property Insights of AB00682906-01
The XLogP value of 0.7166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00682906-01. The TPSA of 107.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00682906-01. Following Lipinski's Rule of Five, AB00682906-01 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 AB00682906-01?
The CAS number of AB00682906-01 is 780813-07-2.
What is the molecular formula of AB00682906-01?
The molecular formula of AB00682906-01 is C12H11FN4O3S.
What is the molecular weight of AB00682906-01?
The molecular weight of AB00682906-01 is 310.05 g/mol.
Where can I buy AB00682906-01?
You can request a quote for AB00682906-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00682906-01?
Yes, KEHONG BIO provides custom synthesis services for AB00682906-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.