N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine
TL;DR: N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine (CAS 60559-98-0) is a chemical compound with molecular formula C12H17N5 and molecular weight 231.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-2-(2-methylbutan-2-yl)-3-pyridin-3-ylguanidine
Also Known As: N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridylguanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-(3-pyridinyl)guanidine, 2-Cyano-1-tert-pentyl-3-(3-pyridyl)guanidine, Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinyl-, RefChem:829507
| Molecular Formula | C12H17N5 |
|---|---|
| Molecular Weight | 231.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.14839 |
| Heavy Atoms | 17 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 60559-98-0 |
|---|---|
| SMILES | CCC(C)(C)N=C(NC#N)NC1=CN=CC=C1 |
| InChIKey | HKZNADVVGXKQDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine (CAS 60559-98-0), with molecular formula C12H17N5 and molecular weight 231.15 g/mol. IUPAC: 1-cyano-2-(2-methylbutan-2-yl)-3-pyridin-3-ylguanidine.
Chemical Property Profile of N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine
Property Insights of N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine. Following Lipinski's Rule of Five, N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine has 2 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 N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine?
The CAS number of N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine is 60559-98-0.
What is the molecular formula of N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine?
The molecular formula of N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine is C12H17N5.
What is the molecular weight of N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine?
The molecular weight of N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine is 231.15 g/mol.
Where can I buy N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine?
You can request a quote for N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine?
Yes, KEHONG BIO provides custom synthesis services for N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.