Pentylenetetrazole
TL;DR: Pentylenetetrazole (CAS 54-95-5) is a chemical compound with molecular formula C6H10N4 and molecular weight 138.09055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
Also Known As: Pentetrazol, Pentylenetetrazol, PENTYLENETETRAZOLE, Metrazole, Cardiazol
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H10N4 |
| Molecular Weight | 138.09055 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.09055 Da |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
| Melting Point | 135 to 136 °F (NTP, 1992) |
| Solubility | greater than or equal to 100 mg/mL at 70 °F (NTP, 1992) |
| SMILES | C1CCC2=NN=NN2CC1 |
| InChIKey | CWRVKFFCRWGWCS-UHFFFAOYSA-N |
Product Description
Applications: Pentylenetetrazole is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Pentylenetetrazole (CAS 54-95-5) is a pharmaceutical intermediate with the molecular formula C6H10N4 and a molecular weight of 138.09 g/mol. Key physical properties include a solubility: greater than or equal to 100 mg/mL at 70 °F (NTP, 1992). Synonyms include Pentetrazol and Pentylenetetrazol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Pentylenetetrazole
Property Insights of Pentylenetetrazole
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentylenetetrazole. With a topological polar surface area (TPSA) of 43.6 Ų, Pentylenetetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentylenetetrazole 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
What is the CAS number of Pentylenetetrazole?
The CAS number of Pentylenetetrazole is 54-95-5.
What is the molecular formula of Pentylenetetrazole?
The molecular formula of Pentylenetetrazole is C6H10N4.
What is the molecular weight of Pentylenetetrazole?
The molecular weight of Pentylenetetrazole is 138.09055 g/mol.
What are the applications of Pentylenetetrazole?
Pentylenetetrazole is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Pentylenetetrazole?
You can request a quote for Pentylenetetrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentylenetetrazole?
Yes, CoreyChem provides custom synthesis services for Pentylenetetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.