AB00684784-01
TL;DR: AB00684784-01 (CAS 852154-50-8) is a chemical compound with molecular formula C19H15FN6O2S and molecular weight 410.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(4-fluorophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: AB00684784-01, F0648-0781, 6-((4-(4-fluorophenyl)-5-((pyridin-3-ylmethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[[4-(4-fluorophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione, 6-{[4-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C19H15FN6O2S |
|---|---|
| Molecular Weight | 410.10 g/mol |
| LogP | 2.0611 |
| Topological Polar Surface Area | 109.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.09613 |
| Heavy Atoms | 29 |
| Complexity | 1205.7966 |
Chemical Identifiers
| CAS Number | 852154-50-8 |
|---|---|
| SMILES | C1=CC(=CN=C1)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC(=O)NC(=O)N4 |
Product Overview
AB00684784-01 (CAS 852154-50-8), with molecular formula C19H15FN6O2S and molecular weight 410.10 g/mol. IUPAC: 6-[[4-(4-fluorophenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of AB00684784-01
Property Insights of AB00684784-01
The XLogP value of 2.0611 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684784-01. The TPSA of 109.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684784-01. Following Lipinski's Rule of Five, AB00684784-01 has 2 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 AB00684784-01?
The CAS number of AB00684784-01 is 852154-50-8.
What is the molecular formula of AB00684784-01?
The molecular formula of AB00684784-01 is C19H15FN6O2S.
What is the molecular weight of AB00684784-01?
The molecular weight of AB00684784-01 is 410.10 g/mol.
Where can I buy AB00684784-01?
You can request a quote for AB00684784-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684784-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684784-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.