ChemDiv3_004847
TL;DR: ChemDiv3_004847 (CAS 488802-90-0) is a chemical compound with molecular formula C16H13N5O3 and molecular weight 323.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
Also Known As: ChemDiv3_004847, IDI1_022757, BRD-A99368107-001-01-0, N-(5-hydroxy-7-phenyl-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide, N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
| Molecular Formula | C16H13N5O3 |
|---|---|
| Molecular Weight | 323.10 g/mol |
| LogP | 2.055 |
| Topological Polar Surface Area | 102.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.10184 |
| Heavy Atoms | 24 |
| Complexity | 885.8459 |
Chemical Identifiers
| CAS Number | 488802-90-0 |
|---|---|
| SMILES | C1C(N2C(=NC(=N2)NC(=O)C3=CC=CO3)NC1=O)C4=CC=CC=C4 |
Product Overview
ChemDiv3_004847 (CAS 488802-90-0), with molecular formula C16H13N5O3 and molecular weight 323.10 g/mol. IUPAC: N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide.
Chemical Property Profile of ChemDiv3_004847
Property Insights of ChemDiv3_004847
The XLogP value of 2.055 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004847. The TPSA of 102.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004847. Following Lipinski's Rule of Five, ChemDiv3_004847 has 2 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 ChemDiv3_004847?
The CAS number of ChemDiv3_004847 is 488802-90-0.
What is the molecular formula of ChemDiv3_004847?
The molecular formula of ChemDiv3_004847 is C16H13N5O3.
What is the molecular weight of ChemDiv3_004847?
The molecular weight of ChemDiv3_004847 is 323.10 g/mol.
Where can I buy ChemDiv3_004847?
You can request a quote for ChemDiv3_004847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004847?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.