AB00684872-01
TL;DR: AB00684872-01 (CAS 892480-70-5) is a chemical compound with molecular formula C17H10ClF2N5O and molecular weight 373.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one
Also Known As: AB00684872-01, F0656-0819, 6-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one, 6-(2-chloro-6-fluorobenzyl)-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one, 6-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
| Molecular Formula | C17H10ClF2N5O |
|---|---|
| Molecular Weight | 373.05 g/mol |
| LogP | 2.9571 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.0542 |
| Heavy Atoms | 26 |
| Complexity | 1149.9559 |
Chemical Identifiers
| CAS Number | 892480-70-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CN2C=NC3=C(C2=O)N=NN3C4=CC=C(C=C4)F)F |
Product Overview
AB00684872-01 (CAS 892480-70-5), with molecular formula C17H10ClF2N5O and molecular weight 373.05 g/mol. IUPAC: 6-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of AB00684872-01
Property Insights of AB00684872-01
The XLogP value of 2.9571 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684872-01. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684872-01. Following Lipinski's Rule of Five, AB00684872-01 has 0 hydrogen bond donor(s) and 4 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 AB00684872-01?
The CAS number of AB00684872-01 is 892480-70-5.
What is the molecular formula of AB00684872-01?
The molecular formula of AB00684872-01 is C17H10ClF2N5O.
What is the molecular weight of AB00684872-01?
The molecular weight of AB00684872-01 is 373.05 g/mol.
Where can I buy AB00684872-01?
You can request a quote for AB00684872-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684872-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684872-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.