AB01284287-01
TL;DR: AB01284287-01 (CAS 852154-58-6) is a chemical compound with molecular formula C21H15ClFN5O3S and molecular weight 471.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: AB01284287-01, F0648-0790, 6-((5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione, 6-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
| Molecular Formula | C21H15ClFN5O3S |
|---|---|
| Molecular Weight | 471.06 g/mol |
| LogP | 3.0022 |
| Topological Polar Surface Area | 113.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.05682 |
| Heavy Atoms | 32 |
| Complexity | 1352.0632 |
Chemical Identifiers
| CAS Number | 852154-58-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC(=O)NC(=O)N4)Cl |
Product Overview
AB01284287-01 (CAS 852154-58-6), with molecular formula C21H15ClFN5O3S and molecular weight 471.06 g/mol. IUPAC: 6-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of AB01284287-01
Property Insights of AB01284287-01
The XLogP value of 3.0022 indicates that AB01284287-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01284287-01. Following Lipinski's Rule of Five, AB01284287-01 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 AB01284287-01?
The CAS number of AB01284287-01 is 852154-58-6.
What is the molecular formula of AB01284287-01?
The molecular formula of AB01284287-01 is C21H15ClFN5O3S.
What is the molecular weight of AB01284287-01?
The molecular weight of AB01284287-01 is 471.06 g/mol.
Where can I buy AB01284287-01?
You can request a quote for AB01284287-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01284287-01?
Yes, KEHONG BIO provides custom synthesis services for AB01284287-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.