Isomylamine
TL;DR: Isomylamine (CAS 28815-27-2) is a chemical compound with molecular formula C18H35NO2 and molecular weight 297.27 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
Also Known As: Isomylamine, Neurylan, A-PLUS, component of A-Plus tablets, NCIOpen2_008788
| Molecular Formula | C18H35NO2 |
|---|---|
| Molecular Weight | 297.27 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 297.26678 |
| Heavy Atoms | 21 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 28815-27-2 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1(CCCCC1)CCC(C)C |
| InChIKey | BHSHHNNBVMXJNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isomylamine (CAS 28815-27-2), with molecular formula C18H35NO2 and molecular weight 297.27 g/mol. IUPAC: 2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate.
Chemical Property Profile of Isomylamine
Property Insights of Isomylamine
The XLogP value of 5.0 indicates that Isomylamine 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 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isomylamine has 0 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?
The CAS number of Isomylamine is 28815-27-2.
What is the molecular formula of Isomylamine?
The molecular formula of Isomylamine is C18H35NO2.
What is the molecular weight of Isomylamine?
The molecular weight of Isomylamine is 297.27 g/mol.
Where can I buy Isomylamine?
You can request a quote for Isomylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomylamine?
Yes, KEHONG BIO provides custom synthesis services for Isomylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.