Isobucaine Hydrochloride
TL;DR: Isobucaine Hydrochloride (CAS 3562-15-0) is a chemical compound with molecular formula C15H24ClNO2 and molecular weight 285.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-2-(2-methylpropylamino)propyl] benzoate;hydrochloride
Also Known As: Isobucaine hydrochloride, Kinkaine, Isobucaine HCl, IsobucaineHydrochloride, Isobucaine hydrochloride [USP]
| Molecular Formula | C15H24ClNO2 |
|---|---|
| Molecular Weight | 285.15 g/mol |
| LogP | 3.2894 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.14957 |
| Heavy Atoms | 19 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 3562-15-0 |
|---|---|
| SMILES | CC(C)CNC(C)(C)COC(=O)C1=CC=CC=C1.Cl |
| InChIKey | HVBPUDDMBXSIGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobucaine Hydrochloride (CAS 3562-15-0), with molecular formula C15H24ClNO2 and molecular weight 285.15 g/mol. IUPAC: [2-methyl-2-(2-methylpropylamino)propyl] benzoate;hydrochloride.
Chemical Property Profile of Isobucaine Hydrochloride
Property Insights of Isobucaine Hydrochloride
The XLogP value of 3.2894 indicates that Isobucaine Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Isobucaine Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobucaine Hydrochloride 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 Isobucaine Hydrochloride?
The CAS number of Isobucaine Hydrochloride is 3562-15-0.
What is the molecular formula of Isobucaine Hydrochloride?
The molecular formula of Isobucaine Hydrochloride is C15H24ClNO2.
What is the molecular weight of Isobucaine Hydrochloride?
The molecular weight of Isobucaine Hydrochloride is 285.15 g/mol.
Where can I buy Isobucaine Hydrochloride?
You can request a quote for Isobucaine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobucaine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isobucaine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.