Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl-
TL;DR: Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl- (CAS 67026-92-0) is a chemical compound with molecular formula C13H18N4 and molecular weight 230.15 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-phenylguanidine
Also Known As: Guanidine, 2-cyano-1-tert-pentyl-3-phenyl-, 1-Cyano-2-(tert-pentyl)-3-phenylguanidine, Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl-, N-Cyano-N'-(1,1-dimethylpropyl)-N''-phenylguanidine, 1-cyano-2-(2-methylbutan-2-yl)-3-phenylguanidine
| Molecular Formula | C13H18N4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.71378 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.15315 |
| Heavy Atoms | 17 |
| Complexity | 414.79565 |
Chemical Identifiers
| CAS Number | 67026-92-0 |
|---|---|
| SMILES | CCC(C)(C)N=C(NC#N)NC1=CC=CC=C1 |
Product Overview
Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl- (CAS 67026-92-0), with molecular formula C13H18N4 and molecular weight 230.15 g/mol. IUPAC: 1-cyano-2-(2-methylbutan-2-yl)-3-phenylguanidine.
Chemical Property Profile of Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl-
Property Insights of Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl-
The XLogP value of 2.71378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl-. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl-. Following Lipinski's Rule of Five, Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl- 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 Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl-?
The CAS number of Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl- is 67026-92-0.
What is the molecular formula of Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl-?
The molecular formula of Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl- is C13H18N4.
What is the molecular weight of Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl-?
The molecular weight of Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl- is 230.15 g/mol.
Where can I buy Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl-?
You can request a quote for Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.