N''-Cyano-N-pyridin-4(1H)-ylidene-N'-(2,3,3-trimethylbutan-2-yl)guanidine
TL;DR: N''-Cyano-N-pyridin-4(1H)-ylidene-N'-(2,3,3-trimethylbutan-2-yl)guanidine (CAS 67026-53-3) is a chemical compound with molecular formula C14H21N5 and molecular weight 259.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-3-pyridin-4-yl-2-(2,3,3-trimethylbutan-2-yl)guanidine
Also Known As: Guanidine, N-cyano-N'-4-pyridinyl-N''-(1,1,2,2-tetramethylpropyl)-, hydrate, N''-Cyano-N-pyridin-4(1H)-ylidene-N'-(2,3,3-trimethylbutan-2-yl)guanidine, N-Cyano-N'-4-pyridinyl-N''-(1,1,2,2-tetramethylpropyl)guanidine hydrate, 1-cyano-3-pyridin-4-yl-2-(2,3,3-trimethylbutan-2-yl)guanidine, Guanidine, 2-cyano-1-(4-pyridyl)-3-(1,1,2,2-tetramethylpropyl)-, monohydrate
| Molecular Formula | C14H21N5 |
|---|---|
| Molecular Weight | 259.18 g/mol |
| LogP | 2.74488 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.1797 |
| Heavy Atoms | 19 |
| Complexity | 476.79807 |
Chemical Identifiers
| CAS Number | 67026-53-3 |
|---|---|
| SMILES | CC(C)(C)C(C)(C)N=C(NC#N)NC1=CC=NC=C1 |
Product Overview
N''-Cyano-N-pyridin-4(1H)-ylidene-N'-(2,3,3-trimethylbutan-2-yl)guanidine (CAS 67026-53-3), with molecular formula C14H21N5 and molecular weight 259.18 g/mol. IUPAC: 1-cyano-3-pyridin-4-yl-2-(2,3,3-trimethylbutan-2-yl)guanidine.
Chemical Property Profile of N''-Cyano-N-pyridin-4(1H)-ylidene-N'-(2,3,3-trimethylbutan-2-yl)guanidine
Property Insights of N''-Cyano-N-pyridin-4(1H)-ylidene-N'-(2,3,3-trimethylbutan-2-yl)guanidine
The XLogP value of 2.74488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N''-Cyano-N-pyridin-4(1H)-ylidene-N'-(2,3,3-trimethylbutan-2-yl)guanidine. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N''-Cyano-N-pyridin-4(1H)-ylidene-N'-(2,3,3-trimethylbutan-2-yl)guanidine. Following Lipinski's Rule of Five, N''-Cyano-N-pyridin-4(1H)-ylidene-N'-(2,3,3-trimethylbutan-2-yl)guanidine 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-pyridin-4(1H)-ylidene-N'-(2,3,3-trimethylbutan-2-yl)guanidine?
The CAS number of N''-Cyano-N-pyridin-4(1H)-ylidene-N'-(2,3,3-trimethylbutan-2-yl)guanidine is 67026-53-3.
What is the molecular formula of N''-Cyano-N-pyridin-4(1H)-ylidene-N'-(2,3,3-trimethylbutan-2-yl)guanidine?
The molecular formula of N''-Cyano-N-pyridin-4(1H)-ylidene-N'-(2,3,3-trimethylbutan-2-yl)guanidine is C14H21N5.
What is the molecular weight of N''-Cyano-N-pyridin-4(1H)-ylidene-N'-(2,3,3-trimethylbutan-2-yl)guanidine?
The molecular weight of N''-Cyano-N-pyridin-4(1H)-ylidene-N'-(2,3,3-trimethylbutan-2-yl)guanidine is 259.18 g/mol.
Where can I buy N''-Cyano-N-pyridin-4(1H)-ylidene-N'-(2,3,3-trimethylbutan-2-yl)guanidine?
You can request a quote for N''-Cyano-N-pyridin-4(1H)-ylidene-N'-(2,3,3-trimethylbutan-2-yl)guanidine 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-pyridin-4(1H)-ylidene-N'-(2,3,3-trimethylbutan-2-yl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for N''-Cyano-N-pyridin-4(1H)-ylidene-N'-(2,3,3-trimethylbutan-2-yl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.