AB00684781-01
TL;DR: AB00684781-01 (CAS 852154-36-0) is a chemical compound with molecular formula C19H16FN7O4S and molecular weight 457.10 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-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: AB00684781-01, F0648-0761, 2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide, 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide, 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
| Molecular Formula | C19H16FN7O4S |
|---|---|
| Molecular Weight | 457.10 g/mol |
| LogP | 1.40102 |
| Topological Polar Surface Area | 151.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.09686 |
| Heavy Atoms | 32 |
| Complexity | 1345.0767 |
Chemical Identifiers
| CAS Number | 852154-36-0 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC(=O)NC(=O)N4 |
Product Overview
AB00684781-01 (CAS 852154-36-0), with molecular formula C19H16FN7O4S and molecular weight 457.10 g/mol. IUPAC: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of AB00684781-01
Property Insights of AB00684781-01
The XLogP value of 1.40102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684781-01. The TPSA of 151.56 Ų indicates high polarity, suggesting AB00684781-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00684781-01 has 3 hydrogen bond donor(s) and 8 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 AB00684781-01?
The CAS number of AB00684781-01 is 852154-36-0.
What is the molecular formula of AB00684781-01?
The molecular formula of AB00684781-01 is C19H16FN7O4S.
What is the molecular weight of AB00684781-01?
The molecular weight of AB00684781-01 is 457.10 g/mol.
Where can I buy AB00684781-01?
You can request a quote for AB00684781-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684781-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684781-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.