3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinone
TL;DR: 3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinone (CAS 87693-14-9) is a chemical compound with molecular formula C9H6N6NaO+ and molecular weight 237.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-(2H-tetrazol-5-yl)quinazolin-4-one
Also Known As: 3-Tyqz, 4(3H)-Quinazolinone, 3-(1H-tetrazol-5-yl)-, sodium salt, sodium;3-(2H-tetrazol-5-yl)quinazolin-4-one, 3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinone, sodium 3-(2H-tetrazol-5-yl)quinazolin-4-one
| Molecular Formula | C9H6N6NaO+ |
|---|---|
| Molecular Weight | 237.05 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.05008 |
| Heavy Atoms | 17 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 87693-14-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C=N2)C3=NNN=N3.[Na+] |
| InChIKey | PQKMDJBZJHXUHW-UHFFFAOYSA-N |
Product Overview
3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinone (CAS 87693-14-9), with molecular formula C9H6N6NaO+ and molecular weight 237.05 g/mol. IUPAC: sodium 3-(2H-tetrazol-5-yl)quinazolin-4-one.
Chemical Property Profile of 3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinone
Property Insights of 3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinone
The XLogP value of -3.1 indicates that 3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinone. Following Lipinski's Rule of Five, 3-(1H-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-(1H-Tetrazol-5-yl)-4(3H)-quinazolinone?
The CAS number of 3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinone is 87693-14-9.
What is the molecular formula of 3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinone?
The molecular formula of 3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinone is C9H6N6NaO+.
What is the molecular weight of 3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinone?
The molecular weight of 3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinone is 237.05 g/mol.
Where can I buy 3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinone?
You can request a quote for 3-(1H-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-(1H-Tetrazol-5-yl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.