AB00686972-01
TL;DR: AB00686972-01 (CAS 872590-75-5) is a chemical compound with molecular formula C19H15ClN6O2 and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(4-methylphenyl)acetamide
Also Known As: AB00686972-01, F1876-0163, 2-[3-(4-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(4-methylphenyl)acetamide, 2-(3-(4-chlorophenyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)-N-(p-tolyl)acetamide, 2-[3-(4-chlorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(4-methylphenyl)acetamide
| Molecular Formula | C19H15ClN6O2 |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 2.57772 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.0945 |
| Heavy Atoms | 28 |
| Complexity | 1212.1416 |
Chemical Identifiers
| CAS Number | 872590-75-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)N=NN3C4=CC=C(C=C4)Cl |
Product Overview
AB00686972-01 (CAS 872590-75-5), with molecular formula C19H15ClN6O2 and molecular weight 394.09 g/mol. IUPAC: 2-[3-(4-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of AB00686972-01
Property Insights of AB00686972-01
The XLogP value of 2.57772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686972-01. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686972-01. Following Lipinski's Rule of Five, AB00686972-01 has 1 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 AB00686972-01?
The CAS number of AB00686972-01 is 872590-75-5.
What is the molecular formula of AB00686972-01?
The molecular formula of AB00686972-01 is C19H15ClN6O2.
What is the molecular weight of AB00686972-01?
The molecular weight of AB00686972-01 is 394.09 g/mol.
Where can I buy AB00686972-01?
You can request a quote for AB00686972-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686972-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686972-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.