ChemDiv3_004891
TL;DR: ChemDiv3_004891 (CAS 489462-33-1) is a chemical compound with molecular formula C17H15N5O3S and molecular weight 369.09 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)benzenesulfonamide
Also Known As: ChemDiv3_004891, IDI1_022801, BRD-A03336749-001-01-6, N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide, N-(5-hydroxy-7-phenyl-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
| Molecular Formula | C17H15N5O3S |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.08957 |
| Heavy Atoms | 26 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 489462-33-1 |
|---|---|
| SMILES | C1C(N2C(=NC(=N2)NS(=O)(=O)C3=CC=CC=C3)NC1=O)C4=CC=CC=C4 |
| InChIKey | DXJSVHBWMQCQDD-UHFFFAOYSA-N |
Product Overview
ChemDiv3_004891 (CAS 489462-33-1), with molecular formula C17H15N5O3S and molecular weight 369.09 g/mol. IUPAC: N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide.
Chemical Property Profile of ChemDiv3_004891
Property Insights of ChemDiv3_004891
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004891. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004891. Following Lipinski's Rule of Five, ChemDiv3_004891 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 ChemDiv3_004891?
The CAS number of ChemDiv3_004891 is 489462-33-1.
What is the molecular formula of ChemDiv3_004891?
The molecular formula of ChemDiv3_004891 is C17H15N5O3S.
What is the molecular weight of ChemDiv3_004891?
The molecular weight of ChemDiv3_004891 is 369.09 g/mol.
Where can I buy ChemDiv3_004891?
You can request a quote for ChemDiv3_004891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004891?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.