F1876-0098
TL;DR: F1876-0098 (CAS 893936-69-1) is a chemical compound with molecular formula C17H12FN5O4 and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[3-(3-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]methyl]furan-2-carboxylate
Also Known As: F1876-0098, methyl 5-[[3-(3-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]methyl]furan-2-carboxylate, methyl 5-((3-(3-fluorophenyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)methyl)furan-2-carboxylate, methyl 5-{[3-(3-fluorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]methyl}furan-2-carboxylate
| Molecular Formula | C17H12FN5O4 |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 1.5442 |
| Topological Polar Surface Area | 105.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.08734 |
| Heavy Atoms | 27 |
| Complexity | 1209.4835 |
Chemical Identifiers
| CAS Number | 893936-69-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CN2C=NC3=C(C2=O)N=NN3C4=CC(=CC=C4)F |
Product Overview
F1876-0098 (CAS 893936-69-1), with molecular formula C17H12FN5O4 and molecular weight 369.09 g/mol. IUPAC: methyl 5-[[3-(3-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]methyl]furan-2-carboxylate.
Chemical Property Profile of F1876-0098
Property Insights of F1876-0098
The XLogP value of 1.5442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1876-0098. The TPSA of 105.04 Ų falls within the moderate polarity range, balancing permeability and solubility for F1876-0098. Following Lipinski's Rule of Five, F1876-0098 has 0 hydrogen bond donor(s) and 7 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 F1876-0098?
The CAS number of F1876-0098 is 893936-69-1.
What is the molecular formula of F1876-0098?
The molecular formula of F1876-0098 is C17H12FN5O4.
What is the molecular weight of F1876-0098?
The molecular weight of F1876-0098 is 369.09 g/mol.
Where can I buy F1876-0098?
You can request a quote for F1876-0098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1876-0098?
Yes, KEHONG BIO provides custom synthesis services for F1876-0098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.