F1876-0012
TL;DR: F1876-0012 (CAS 893932-68-8) is a chemical compound with molecular formula C16H15FN6O2 and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)triazolo[4,5-d]pyrimidin-7-one
Also Known As: F1876-0012, 3-(3-fluorophenyl)-6-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, 3-(3-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)triazolo[4,5-d]pyrimidin-7-one, 3-(3-fluorophenyl)-6-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
| Molecular Formula | C16H15FN6O2 |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 0.7387 |
| Topological Polar Surface Area | 85.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.12405 |
| Heavy Atoms | 25 |
| Complexity | 1005.27277 |
Chemical Identifiers
| CAS Number | 893932-68-8 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CN2C=NC3=C(C2=O)N=NN3C4=CC(=CC=C4)F |
Product Overview
F1876-0012 (CAS 893932-68-8), with molecular formula C16H15FN6O2 and molecular weight 342.12 g/mol. IUPAC: 3-(3-fluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of F1876-0012
Property Insights of F1876-0012
The XLogP value of 0.7387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1876-0012. The TPSA of 85.91 Ų falls within the moderate polarity range, balancing permeability and solubility for F1876-0012. Following Lipinski's Rule of Five, F1876-0012 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 F1876-0012?
The CAS number of F1876-0012 is 893932-68-8.
What is the molecular formula of F1876-0012?
The molecular formula of F1876-0012 is C16H15FN6O2.
What is the molecular weight of F1876-0012?
The molecular weight of F1876-0012 is 342.12 g/mol.
Where can I buy F1876-0012?
You can request a quote for F1876-0012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1876-0012?
Yes, KEHONG BIO provides custom synthesis services for F1876-0012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.