Isomylamine Hydrochloride
TL;DR: Isomylamine Hydrochloride (CAS 17048-41-8) is a chemical compound with molecular formula C18H36ClNO2 and molecular weight 333.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate;hydrochloride
Also Known As: Isomylamine HCl, ISOMYLAMINE HYDROCHLORIDE, Neurylan, A-PLUS, Isomylamine hydrochloride [USAN]
| Molecular Formula | C18H36ClNO2 |
|---|---|
| Molecular Weight | 333.24 g/mol |
| LogP | 4.6799 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 333.24347 |
| Heavy Atoms | 22 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 17048-41-8 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1(CCCCC1)CCC(C)C.Cl |
| InChIKey | KMYDNZZJBUDBTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isomylamine Hydrochloride (CAS 17048-41-8), with molecular formula C18H36ClNO2 and molecular weight 333.24 g/mol. IUPAC: 2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate;hydrochloride.
Chemical Property Profile of Isomylamine Hydrochloride
Property Insights of Isomylamine Hydrochloride
The XLogP value of 4.6799 indicates that Isomylamine Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Isomylamine Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isomylamine Hydrochloride has 1 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 Isomylamine Hydrochloride?
The CAS number of Isomylamine Hydrochloride is 17048-41-8.
What is the molecular formula of Isomylamine Hydrochloride?
The molecular formula of Isomylamine Hydrochloride is C18H36ClNO2.
What is the molecular weight of Isomylamine Hydrochloride?
The molecular weight of Isomylamine Hydrochloride is 333.24 g/mol.
Where can I buy Isomylamine Hydrochloride?
You can request a quote for Isomylamine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomylamine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isomylamine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.