F1876-0896
TL;DR: F1876-0896 (CAS 893918-04-2) is a chemical compound with molecular formula C21H19N7O3 and molecular weight 417.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[3-(3,4-dimethylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetyl]amino]benzamide
Also Known As: F1876-0896, 4-[[2-[3-(3,4-dimethylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetyl]amino]benzamide, 4-(2-(3-(3,4-dimethylphenyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamido)benzamide, 4-{2-[3-(3,4-dimethylphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamido}benzamide
| Molecular Formula | C21H19N7O3 |
|---|---|
| Molecular Weight | 417.15 g/mol |
| LogP | 1.33164 |
| Topological Polar Surface Area | 137.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.15494 |
| Heavy Atoms | 31 |
| Complexity | 1370.25 |
Chemical Identifiers
| CAS Number | 893918-04-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)NC4=CC=C(C=C4)C(=O)N)N=N2)C |
Product Overview
F1876-0896 (CAS 893918-04-2), with molecular formula C21H19N7O3 and molecular weight 417.15 g/mol. IUPAC: 4-[[2-[3-(3,4-dimethylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetyl]amino]benzamide.
Chemical Property Profile of F1876-0896
Property Insights of F1876-0896
The XLogP value of 1.33164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1876-0896. The TPSA of 137.79 Ų falls within the moderate polarity range, balancing permeability and solubility for F1876-0896. Following Lipinski's Rule of Five, F1876-0896 has 2 hydrogen bond donor(s) and 6 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 F1876-0896?
The CAS number of F1876-0896 is 893918-04-2.
What is the molecular formula of F1876-0896?
The molecular formula of F1876-0896 is C21H19N7O3.
What is the molecular weight of F1876-0896?
The molecular weight of F1876-0896 is 417.15 g/mol.
Where can I buy F1876-0896?
You can request a quote for F1876-0896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1876-0896?
Yes, KEHONG BIO provides custom synthesis services for F1876-0896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.