ChemDiv1_016363
TL;DR: ChemDiv1_016363 (CAS 385787-46-2) is a chemical compound with molecular formula C17H18N4O3 and molecular weight 326.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2,5-dimethoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: ChemDiv1_016363, BAS 03546850, 9-(2,5-dimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, AF-399/40888105, F1038-0455
| Molecular Formula | C17H18N4O3 |
|---|---|
| Molecular Weight | 326.14 g/mol |
| LogP | 2.3173 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.13788 |
| Heavy Atoms | 24 |
| Complexity | 840.11127 |
Chemical Identifiers
| CAS Number | 385787-46-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C2C3=C(CCCC3=O)NC4=NC=NN24 |
Product Overview
ChemDiv1_016363 (CAS 385787-46-2), with molecular formula C17H18N4O3 and molecular weight 326.14 g/mol. IUPAC: 9-(2,5-dimethoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of ChemDiv1_016363
Property Insights of ChemDiv1_016363
The XLogP value of 2.3173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_016363. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_016363. Following Lipinski's Rule of Five, ChemDiv1_016363 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_016363?
The CAS number of ChemDiv1_016363 is 385787-46-2.
What is the molecular formula of ChemDiv1_016363?
The molecular formula of ChemDiv1_016363 is C17H18N4O3.
What is the molecular weight of ChemDiv1_016363?
The molecular weight of ChemDiv1_016363 is 326.14 g/mol.
Where can I buy ChemDiv1_016363?
You can request a quote for ChemDiv1_016363 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016363?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016363 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.