戊四氮
TL;DR: 戊四氮 (CAS 54-95-5) is a chemical compound with molecular formula C6H10N4 and molecular weight 138.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
戊四氮
6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
Also Known As: Pentetrazol, Pentylenetetrazol, PENTYLENETETRAZOLE, Metrazole, Cardiazol
| Molecular Formula | C6H10N4 |
|---|---|
| Molecular Weight | 138.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.09055 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
| Melting Point | 135 to 57.8 °C |
| Solubility | greater than or equal to 100 mg/mL at 70 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 54-95-5 |
|---|---|
| SMILES | C1CCC2=NN=NN2CC1 |
| InChIKey | CWRVKFFCRWGWCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
戊四氮 (CAS 54-95-5), with molecular formula C6H10N4 and molecular weight 138.09 g/mol. IUPAC: 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine.
Chemical Property Profile of 戊四氮
Property Insights of 戊四氮
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 戊四氮. With a topological polar surface area (TPSA) of 43.6 Ų, 戊四氮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 戊四氮 has 0 hydrogen bond donor(s) and 3 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 戊四氮?
The CAS number of 戊四氮 is 54-95-5.
What is the molecular formula of 戊四氮?
The molecular formula of 戊四氮 is C6H10N4.
What is the molecular weight of 戊四氮?
The molecular weight of 戊四氮 is 138.09 g/mol.
Where can I buy 戊四氮?
You can request a quote for 戊四氮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 戊四氮?
Yes, KEHONG BIO provides custom synthesis services for 戊四氮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.