AB00686975-01
TL;DR: AB00686975-01 (CAS 893924-72-6) is a chemical compound with molecular formula C14H8F3N5O2 and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-prop-2-ynyl-3-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidin-7-one
Also Known As: AB00686975-01, F1876-0418, 6-prop-2-ynyl-3-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidin-7-one, 6-(prop-2-yn-1-yl)-3-(4-(trifluoromethoxy)phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
| Molecular Formula | C14H8F3N5O2 |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 1.509 |
| Topological Polar Surface Area | 74.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.06302 |
| Heavy Atoms | 24 |
| Complexity | 982.78815 |
Chemical Identifiers
| CAS Number | 893924-72-6 |
|---|---|
| SMILES | C#CCN1C=NC2=C(C1=O)N=NN2C3=CC=C(C=C3)OC(F)(F)F |
Product Overview
AB00686975-01 (CAS 893924-72-6), with molecular formula C14H8F3N5O2 and molecular weight 335.06 g/mol. IUPAC: 6-prop-2-ynyl-3-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of AB00686975-01
Property Insights of AB00686975-01
The XLogP value of 1.509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686975-01. The TPSA of 74.83 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686975-01. Following Lipinski's Rule of Five, AB00686975-01 has 0 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 AB00686975-01?
The CAS number of AB00686975-01 is 893924-72-6.
What is the molecular formula of AB00686975-01?
The molecular formula of AB00686975-01 is C14H8F3N5O2.
What is the molecular weight of AB00686975-01?
The molecular weight of AB00686975-01 is 335.06 g/mol.
Where can I buy AB00686975-01?
You can request a quote for AB00686975-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686975-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686975-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.