Guanoctine
TL;DR: Guanoctine (CAS 3658-25-1) is a chemical compound with molecular formula C9H21N3 and molecular weight 171.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,4-trimethylpentan-2-yl)guanidine
Also Known As: Guanoctine, guanoctina, Guanoctine [INN], guanoctinum, t-octylguanidine
| Molecular Formula | C9H21N3 |
|---|---|
| Molecular Weight | 171.17 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.17355 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 3658-25-1 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)N=C(N)N |
| InChIKey | BCPFWSWROVXGQA-UHFFFAOYSA-N |
Product Overview
Guanoctine (CAS 3658-25-1), with molecular formula C9H21N3 and molecular weight 171.17 g/mol. IUPAC: 2-(2,4,4-trimethylpentan-2-yl)guanidine.
Chemical Property Profile of Guanoctine
Property Insights of Guanoctine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanoctine. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanoctine. Following Lipinski's Rule of Five, Guanoctine has 2 hydrogen bond donor(s) and 1 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 Guanoctine?
The CAS number of Guanoctine is 3658-25-1.
What is the molecular formula of Guanoctine?
The molecular formula of Guanoctine is C9H21N3.
What is the molecular weight of Guanoctine?
The molecular weight of Guanoctine is 171.17 g/mol.
Where can I buy Guanoctine?
You can request a quote for Guanoctine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanoctine?
Yes, KEHONG BIO provides custom synthesis services for Guanoctine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.