AB00684787-01
TL;DR: AB00684787-01 (CAS 852154-71-3) is a chemical compound with molecular formula C15H13ClN6O3S and molecular weight 392.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AB00684787-01, F0648-0812, 2-((4-(4-chlorophenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, 2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-{[4-(4-chlorophenyl)-5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C15H13ClN6O3S |
|---|---|
| Molecular Weight | 392.05 g/mol |
| LogP | 0.4655 |
| Topological Polar Surface Area | 139.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.04584 |
| Heavy Atoms | 26 |
| Complexity | 1027.984 |
Chemical Identifiers
| CAS Number | 852154-71-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=NN=C2SCC(=O)N)CC3=CC(=O)NC(=O)N3)Cl |
Product Overview
AB00684787-01 (CAS 852154-71-3), with molecular formula C15H13ClN6O3S and molecular weight 392.05 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00684787-01
Property Insights of AB00684787-01
The XLogP value of 0.4655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684787-01. The TPSA of 139.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684787-01. Following Lipinski's Rule of Five, AB00684787-01 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 AB00684787-01?
The CAS number of AB00684787-01 is 852154-71-3.
What is the molecular formula of AB00684787-01?
The molecular formula of AB00684787-01 is C15H13ClN6O3S.
What is the molecular weight of AB00684787-01?
The molecular weight of AB00684787-01 is 392.05 g/mol.
Where can I buy AB00684787-01?
You can request a quote for AB00684787-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684787-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684787-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.