Guanadrel
TL;DR: Guanadrel (CAS 40580-59-4) is a chemical compound with molecular formula C10H19N3O2 and molecular weight 213.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)guanidine
Also Known As: GUANADREL, Guanadrelum, Hylorel, Guanadrel sulfate, Guanadrel [INN]
| Molecular Formula | C10H19N3O2 |
|---|---|
| Molecular Weight | 213.15 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.14772 |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
| Melting Point | 213.5-215 |
| Solubility | 1.93e+00 g/L |
Chemical Identifiers
| CAS Number | 40580-59-4 |
|---|---|
| SMILES | C1CCC2(CC1)OCC(O2)CN=C(N)N |
| InChIKey | HPBNRIOWIXYZFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Guanadrel (CAS 40580-59-4), with molecular formula C10H19N3O2 and molecular weight 213.15 g/mol. IUPAC: 2-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)guanidine.
Chemical Property Profile of Guanadrel
Property Insights of Guanadrel
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanadrel. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanadrel. Following Lipinski's Rule of Five, Guanadrel 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 Guanadrel?
The CAS number of Guanadrel is 40580-59-4.
What is the molecular formula of Guanadrel?
The molecular formula of Guanadrel is C10H19N3O2.
What is the molecular weight of Guanadrel?
The molecular weight of Guanadrel is 213.15 g/mol.
Where can I buy Guanadrel?
You can request a quote for Guanadrel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanadrel?
Yes, KEHONG BIO provides custom synthesis services for Guanadrel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.