3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone
TL;DR: 3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone (CAS 87693-08-1) is a chemical compound with molecular formula C9H6N6O and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2H-tetrazol-5-yl)quinazolin-4-one
Also Known As: MDL-427 free acid, MDL-427 free moiety, 3-Tyqz, 3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinone, 3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone
| Molecular Formula | C9H6N6O |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.0603 |
| Heavy Atoms | 16 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 87693-08-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C=N2)C3=NNN=N3 |
| InChIKey | GPEZBOYWAXXHJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone (CAS 87693-08-1), with molecular formula C9H6N6O and molecular weight 214.06 g/mol. IUPAC: 3-(2H-tetrazol-5-yl)quinazolin-4-one.
Chemical Property Profile of 3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone
Property Insights of 3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone. Following Lipinski's Rule of Five, 3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone 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 3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone?
The CAS number of 3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone is 87693-08-1.
What is the molecular formula of 3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone?
The molecular formula of 3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone is C9H6N6O.
What is the molecular weight of 3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone?
The molecular weight of 3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone is 214.06 g/mol.
Where can I buy 3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone?
You can request a quote for 3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.