Hexylcaine
TL;DR: Hexylcaine (CAS 532-77-4) is a chemical compound with molecular formula C16H23NO2 and molecular weight 261.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(cyclohexylamino)propan-2-yl benzoate
Also Known As: Osmocaine, Hexilcaina, Hexylcainum, Cyclaine, Hexylcainc
| Molecular Formula | C16H23NO2 |
|---|---|
| Molecular Weight | 261.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.17288 |
| Heavy Atoms | 19 |
| Complexity | 268.0 |
| Melting Point | 177-178.5 |
| Solubility | 9.71e-03 g/L |
Chemical Identifiers
| CAS Number | 532-77-4 |
|---|---|
| SMILES | CC(CNC1CCCCC1)OC(=O)C2=CC=CC=C2 |
| InChIKey | DKLKMKYDWHYZTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexylcaine (CAS 532-77-4), with molecular formula C16H23NO2 and molecular weight 261.17 g/mol. IUPAC: 1-(cyclohexylamino)propan-2-yl benzoate.
Chemical Property Profile of Hexylcaine
Property Insights of Hexylcaine
The XLogP value of 3.6 indicates that Hexylcaine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Hexylcaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexylcaine 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 Hexylcaine?
The CAS number of Hexylcaine is 532-77-4.
What is the molecular formula of Hexylcaine?
The molecular formula of Hexylcaine is C16H23NO2.
What is the molecular weight of Hexylcaine?
The molecular weight of Hexylcaine is 261.17 g/mol.
Where can I buy Hexylcaine?
You can request a quote for Hexylcaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexylcaine?
Yes, KEHONG BIO provides custom synthesis services for Hexylcaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.