N-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine
TL;DR: N-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine (CAS 67026-94-2) is a chemical compound with molecular formula C14H20N4 and molecular weight 244.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1-cyano-3-(2,6-dimethylphenyl)guanidine
Also Known As: 1-tert-Butyl-2-cyano-3-(2,6-xylyl)guanidine, Guanidine, 1-tert-butyl-2-cyano-3-(2,6-xylyl)-, N-Cyano-N'-(1,1-dimethylethyl)-N''-(2,6-dimethylphenyl)guanidine, N-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine, 2-tert-butyl-1-cyano-3-(2,6-dimethylphenyl)guanidine
| Molecular Formula | C14H20N4 |
|---|---|
| Molecular Weight | 244.17 g/mol |
| LogP | 2.94052 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.1688 |
| Heavy Atoms | 18 |
| Complexity | 469.24594 |
Chemical Identifiers
| CAS Number | 67026-94-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=NC(C)(C)C)NC#N |
Product Overview
N-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine (CAS 67026-94-2), with molecular formula C14H20N4 and molecular weight 244.17 g/mol. IUPAC: 2-tert-butyl-1-cyano-3-(2,6-dimethylphenyl)guanidine.
Chemical Property Profile of N-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine
Property Insights of N-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine
The XLogP value of 2.94052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine. Following Lipinski's Rule of Five, N-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine has 2 hydrogen bond donor(s) and 2 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-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine?
The CAS number of N-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine is 67026-94-2.
What is the molecular formula of N-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine?
The molecular formula of N-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine is C14H20N4.
What is the molecular weight of N-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine?
The molecular weight of N-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine is 244.17 g/mol.
Where can I buy N-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine?
You can request a quote for N-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for N-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.