AB00671062-01
TL;DR: AB00671062-01 (CAS 852154-96-2) is a chemical compound with molecular formula C20H16ClN5O2S and molecular weight 425.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[5-benzylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: AB00671062-01, F0648-0875, 6-[[5-benzylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione, 6-((5-(benzylthio)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-{[5-(benzylsulfanyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C20H16ClN5O2S |
|---|---|
| Molecular Weight | 425.07 g/mol |
| LogP | 3.1804 |
| Topological Polar Surface Area | 96.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.07132 |
| Heavy Atoms | 29 |
| Complexity | 1203.9689 |
Chemical Identifiers
| CAS Number | 852154-96-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC(=O)NC(=O)N4 |
Product Overview
AB00671062-01 (CAS 852154-96-2), with molecular formula C20H16ClN5O2S and molecular weight 425.07 g/mol. IUPAC: 6-[[5-benzylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of AB00671062-01
Property Insights of AB00671062-01
The XLogP value of 3.1804 indicates that AB00671062-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00671062-01. Following Lipinski's Rule of Five, AB00671062-01 has 2 hydrogen bond donor(s) and 5 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 AB00671062-01?
The CAS number of AB00671062-01 is 852154-96-2.
What is the molecular formula of AB00671062-01?
The molecular formula of AB00671062-01 is C20H16ClN5O2S.
What is the molecular weight of AB00671062-01?
The molecular weight of AB00671062-01 is 425.07 g/mol.
Where can I buy AB00671062-01?
You can request a quote for AB00671062-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00671062-01?
Yes, KEHONG BIO provides custom synthesis services for AB00671062-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.