AB00684789-01
TL;DR: AB00684789-01 (CAS 852154-92-8) is a chemical compound with molecular formula C18H14ClN7O3S2 and molecular weight 475.03 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]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: AB00684789-01, F0648-0869, 2-((4-(4-chlorophenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide, 2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)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}-N-(1,3-thiazol-2-yl)acetamide
| Molecular Formula | C18H14ClN7O3S2 |
|---|---|
| Molecular Weight | 475.03 g/mol |
| LogP | 2.0754 |
| Topological Polar Surface Area | 138.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.0288 |
| Heavy Atoms | 31 |
| Complexity | 1284.9294 |
Chemical Identifiers
| CAS Number | 852154-92-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=NN=C2SCC(=O)NC3=NC=CS3)CC4=CC(=O)NC(=O)N4)Cl |
Product Overview
AB00684789-01 (CAS 852154-92-8), with molecular formula C18H14ClN7O3S2 and molecular weight 475.03 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of AB00684789-01
Property Insights of AB00684789-01
The XLogP value of 2.0754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684789-01. The TPSA of 138.42 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684789-01. Following Lipinski's Rule of Five, AB00684789-01 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 AB00684789-01?
The CAS number of AB00684789-01 is 852154-92-8.
What is the molecular formula of AB00684789-01?
The molecular formula of AB00684789-01 is C18H14ClN7O3S2.
What is the molecular weight of AB00684789-01?
The molecular weight of AB00684789-01 is 475.03 g/mol.
Where can I buy AB00684789-01?
You can request a quote for AB00684789-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684789-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684789-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.