1-(1-Phenyltetrazol-5-yl)-1,4-diazepane
TL;DR: 1-(1-Phenyltetrazol-5-yl)-1,4-diazepane (CAS 502133-65-5) is a chemical compound with molecular formula C12H16N6 and molecular weight 244.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-phenyltetrazol-5-yl)-1,4-diazepane
Also Known As: 1-(1-phenyltetrazol-5-yl)-1,4-diazepane, 1-(1-phenyl-1H-tetrazol-5-yl)-1,4-diazepane, 1H-1,4-Diazepine, hexahydro-1-(1-phenyl-1H-tetrazol-5-yl)-
| Molecular Formula | C12H16N6 |
|---|---|
| Molecular Weight | 244.14 g/mol |
| LogP | 0.462 |
| Topological Polar Surface Area | 58.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.14365 |
| Heavy Atoms | 18 |
| Complexity | 486.27856 |
Chemical Identifiers
| CAS Number | 502133-65-5 |
|---|---|
| SMILES | C1CNCCN(C1)C2=NN=NN2C3=CC=CC=C3 |
Product Overview
1-(1-Phenyltetrazol-5-yl)-1,4-diazepane (CAS 502133-65-5), with molecular formula C12H16N6 and molecular weight 244.14 g/mol. IUPAC: 1-(1-phenyltetrazol-5-yl)-1,4-diazepane.
Chemical Property Profile of 1-(1-Phenyltetrazol-5-yl)-1,4-diazepane
Property Insights of 1-(1-Phenyltetrazol-5-yl)-1,4-diazepane
The XLogP value of 0.462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Phenyltetrazol-5-yl)-1,4-diazepane. With a topological polar surface area (TPSA) of 58.87 Ų, 1-(1-Phenyltetrazol-5-yl)-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Phenyltetrazol-5-yl)-1,4-diazepane 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 1-(1-Phenyltetrazol-5-yl)-1,4-diazepane?
The CAS number of 1-(1-Phenyltetrazol-5-yl)-1,4-diazepane is 502133-65-5.
What is the molecular formula of 1-(1-Phenyltetrazol-5-yl)-1,4-diazepane?
The molecular formula of 1-(1-Phenyltetrazol-5-yl)-1,4-diazepane is C12H16N6.
What is the molecular weight of 1-(1-Phenyltetrazol-5-yl)-1,4-diazepane?
The molecular weight of 1-(1-Phenyltetrazol-5-yl)-1,4-diazepane is 244.14 g/mol.
Where can I buy 1-(1-Phenyltetrazol-5-yl)-1,4-diazepane?
You can request a quote for 1-(1-Phenyltetrazol-5-yl)-1,4-diazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Phenyltetrazol-5-yl)-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Phenyltetrazol-5-yl)-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.