IFLab1_004354
TL;DR: IFLab1_004354 (CAS 367907-17-3) is a chemical compound with molecular formula C16H16N4O2 and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-methoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: IFLab1_004354, IDI1_010109, J3.216.074C, 9-(4-methoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(4-methoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
| Molecular Formula | C16H16N4O2 |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 2.3087 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.12732 |
| Heavy Atoms | 22 |
| Complexity | 760.70795 |
Chemical Identifiers
| CAS Number | 367907-17-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=NC=NN24 |
Product Overview
IFLab1_004354 (CAS 367907-17-3), with molecular formula C16H16N4O2 and molecular weight 296.13 g/mol. IUPAC: 9-(4-methoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of IFLab1_004354
Property Insights of IFLab1_004354
The XLogP value of 2.3087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_004354. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004354. Following Lipinski's Rule of Five, IFLab1_004354 has 1 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 IFLab1_004354?
The CAS number of IFLab1_004354 is 367907-17-3.
What is the molecular formula of IFLab1_004354?
The molecular formula of IFLab1_004354 is C16H16N4O2.
What is the molecular weight of IFLab1_004354?
The molecular weight of IFLab1_004354 is 296.13 g/mol.
Where can I buy IFLab1_004354?
You can request a quote for IFLab1_004354 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004354?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004354 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.