N-(3-(4-Methylpiperazin-1-yl)-2-cyanophenyl)-1H-tetrazole-5-carboxamide
TL;DR: N-(3-(4-Methylpiperazin-1-yl)-2-cyanophenyl)-1H-tetrazole-5-carboxamide (CAS 77245-43-3) is a chemical compound with molecular formula C14H16N8O and molecular weight 312.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-2H-tetrazole-5-carboxamide
Also Known As: Mpip-cptc, N-(3-(4-Methylpiperazin-1-yl)-2-cyanophenyl)-1H-tetrazole-5-carboxamide, N-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-2H-tetrazole-5-carboxamide, 1H-Tetrazole-5-carboxamide, N-(2-cyano-3-(4-methyl-1-piperazinyl)phenyl)-, RefChem:161876
| Molecular Formula | C14H16N8O |
|---|---|
| Molecular Weight | 312.14 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.1447 |
| Heavy Atoms | 23 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 77245-43-3 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC=CC(=C2C#N)NC(=O)C3=NNN=N3 |
| InChIKey | GDYLQARLBJMOTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-(4-Methylpiperazin-1-yl)-2-cyanophenyl)-1H-tetrazole-5-carboxamide (CAS 77245-43-3), with molecular formula C14H16N8O and molecular weight 312.14 g/mol. IUPAC: N-[2-cyano-3-(4-methylpiperazin-1-yl)phenyl]-2H-tetrazole-5-carboxamide.
Chemical Property Profile of N-(3-(4-Methylpiperazin-1-yl)-2-cyanophenyl)-1H-tetrazole-5-carboxamide
Property Insights of N-(3-(4-Methylpiperazin-1-yl)-2-cyanophenyl)-1H-tetrazole-5-carboxamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-(4-Methylpiperazin-1-yl)-2-cyanophenyl)-1H-tetrazole-5-carboxamide. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-(4-Methylpiperazin-1-yl)-2-cyanophenyl)-1H-tetrazole-5-carboxamide. Following Lipinski's Rule of Five, N-(3-(4-Methylpiperazin-1-yl)-2-cyanophenyl)-1H-tetrazole-5-carboxamide has 2 hydrogen bond donor(s) and 7 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 N-(3-(4-Methylpiperazin-1-yl)-2-cyanophenyl)-1H-tetrazole-5-carboxamide?
The CAS number of N-(3-(4-Methylpiperazin-1-yl)-2-cyanophenyl)-1H-tetrazole-5-carboxamide is 77245-43-3.
What is the molecular formula of N-(3-(4-Methylpiperazin-1-yl)-2-cyanophenyl)-1H-tetrazole-5-carboxamide?
The molecular formula of N-(3-(4-Methylpiperazin-1-yl)-2-cyanophenyl)-1H-tetrazole-5-carboxamide is C14H16N8O.
What is the molecular weight of N-(3-(4-Methylpiperazin-1-yl)-2-cyanophenyl)-1H-tetrazole-5-carboxamide?
The molecular weight of N-(3-(4-Methylpiperazin-1-yl)-2-cyanophenyl)-1H-tetrazole-5-carboxamide is 312.14 g/mol.
Where can I buy N-(3-(4-Methylpiperazin-1-yl)-2-cyanophenyl)-1H-tetrazole-5-carboxamide?
You can request a quote for N-(3-(4-Methylpiperazin-1-yl)-2-cyanophenyl)-1H-tetrazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-(4-Methylpiperazin-1-yl)-2-cyanophenyl)-1H-tetrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-(4-Methylpiperazin-1-yl)-2-cyanophenyl)-1H-tetrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.