AB00676641-01
TL;DR: AB00676641-01 (CAS 888422-18-2) is a chemical compound with molecular formula C20H16F3N5O and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethylphenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-d]pyrimidin-7-one
Also Known As: AB00676641-01, F1876-0912, 3-(3,4-dimethylphenyl)-6-{[3-(trifluoromethyl)phenyl]methyl}-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, 3-(3,4-dimethylphenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-d]pyrimidin-7-one, 3-(3,4-dimethylphenyl)-6-(3-(trifluoromethyl)benzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
| Molecular Formula | C20H16F3N5O |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 3.66114 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.1307 |
| Heavy Atoms | 29 |
| Complexity | 1273.3286 |
Chemical Identifiers
| CAS Number | 888422-18-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C=N3)CC4=CC(=CC=C4)C(F)(F)F)N=N2)C |
Product Overview
AB00676641-01 (CAS 888422-18-2), with molecular formula C20H16F3N5O and molecular weight 399.13 g/mol. IUPAC: 3-(3,4-dimethylphenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of AB00676641-01
Property Insights of AB00676641-01
The XLogP value of 3.66114 indicates that AB00676641-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00676641-01. Following Lipinski's Rule of Five, AB00676641-01 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 AB00676641-01?
The CAS number of AB00676641-01 is 888422-18-2.
What is the molecular formula of AB00676641-01?
The molecular formula of AB00676641-01 is C20H16F3N5O.
What is the molecular weight of AB00676641-01?
The molecular weight of AB00676641-01 is 399.13 g/mol.
Where can I buy AB00676641-01?
You can request a quote for AB00676641-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00676641-01?
Yes, KEHONG BIO provides custom synthesis services for AB00676641-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.