F1876-0047
TL;DR: F1876-0047 (CAS 872590-53-9) is a chemical compound with molecular formula C19H13FN6O4 and molecular weight 408.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[3-(3-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
Also Known As: F1876-0047, N-(1,3-benzodioxol-5-yl)-2-[3-(3-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide, N-(2H-1,3-benzodioxol-5-yl)-2-[3-(3-fluorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide, N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(3-fluorophenyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide
| Molecular Formula | C19H13FN6O4 |
|---|---|
| Molecular Weight | 408.10 g/mol |
| LogP | 1.4837 |
| Topological Polar Surface Area | 113.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.09824 |
| Heavy Atoms | 30 |
| Complexity | 1348.6099 |
Chemical Identifiers
| CAS Number | 872590-53-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)N=NN4C5=CC(=CC=C5)F |
Product Overview
F1876-0047 (CAS 872590-53-9), with molecular formula C19H13FN6O4 and molecular weight 408.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[3-(3-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide.
Chemical Property Profile of F1876-0047
Property Insights of F1876-0047
The XLogP value of 1.4837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1876-0047. The TPSA of 113.16 Ų falls within the moderate polarity range, balancing permeability and solubility for F1876-0047. Following Lipinski's Rule of Five, F1876-0047 has 1 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 F1876-0047?
The CAS number of F1876-0047 is 872590-53-9.
What is the molecular formula of F1876-0047?
The molecular formula of F1876-0047 is C19H13FN6O4.
What is the molecular weight of F1876-0047?
The molecular weight of F1876-0047 is 408.10 g/mol.
Where can I buy F1876-0047?
You can request a quote for F1876-0047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1876-0047?
Yes, KEHONG BIO provides custom synthesis services for F1876-0047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.