ChemDiv3_009774
TL;DR: ChemDiv3_009774 (CAS 852046-59-4) is a chemical compound with molecular formula C15H14N6O3S and molecular weight 358.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: ChemDiv3_009774, IDI1_027684, F0648-0021, 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C15H14N6O3S |
|---|---|
| Molecular Weight | 358.08 g/mol |
| LogP | -0.1879 |
| Topological Polar Surface Area | 139.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.0848 |
| Heavy Atoms | 25 |
| Complexity | 979.6013 |
Chemical Identifiers
| CAS Number | 852046-59-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)CC3=CC(=O)NC(=O)N3 |
Product Overview
ChemDiv3_009774 (CAS 852046-59-4), with molecular formula C15H14N6O3S and molecular weight 358.08 g/mol. IUPAC: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv3_009774
Property Insights of ChemDiv3_009774
The XLogP value of -0.1879 indicates that ChemDiv3_009774 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_009774. Following Lipinski's Rule of Five, ChemDiv3_009774 has 3 hydrogen bond donor(s) and 6 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 ChemDiv3_009774?
The CAS number of ChemDiv3_009774 is 852046-59-4.
What is the molecular formula of ChemDiv3_009774?
The molecular formula of ChemDiv3_009774 is C15H14N6O3S.
What is the molecular weight of ChemDiv3_009774?
The molecular weight of ChemDiv3_009774 is 358.08 g/mol.
Where can I buy ChemDiv3_009774?
You can request a quote for ChemDiv3_009774 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_009774?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_009774 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.