ChemDiv1_016537
TL;DR: ChemDiv1_016537 (CAS 367907-45-7) is a chemical compound with molecular formula C19H22N4O3 and molecular weight 354.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2,5-dimethoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: ChemDiv1_016537, BAS 06911240, 9-(2,5-dimethoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, F1038-0457, 9-(2,5-dimethoxyphenyl)-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
| Molecular Formula | C19H22N4O3 |
|---|---|
| Molecular Weight | 354.17 g/mol |
| LogP | 2.9534 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.1692 |
| Heavy Atoms | 26 |
| Complexity | 913.2581 |
Chemical Identifiers
| CAS Number | 367907-45-7 |
|---|---|
| SMILES | CC1(CC2=C(C(N3C(=NC=N3)N2)C4=C(C=CC(=C4)OC)OC)C(=O)C1)C |
Product Overview
ChemDiv1_016537 (CAS 367907-45-7), with molecular formula C19H22N4O3 and molecular weight 354.17 g/mol. IUPAC: 9-(2,5-dimethoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of ChemDiv1_016537
Property Insights of ChemDiv1_016537
The XLogP value of 2.9534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_016537. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_016537. Following Lipinski's Rule of Five, ChemDiv1_016537 has 1 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 ChemDiv1_016537?
The CAS number of ChemDiv1_016537 is 367907-45-7.
What is the molecular formula of ChemDiv1_016537?
The molecular formula of ChemDiv1_016537 is C19H22N4O3.
What is the molecular weight of ChemDiv1_016537?
The molecular weight of ChemDiv1_016537 is 354.17 g/mol.
Where can I buy ChemDiv1_016537?
You can request a quote for ChemDiv1_016537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016537?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.