Oxetacaine Hydrochloride
TL;DR: Oxetacaine Hydrochloride (CAS 13930-31-9) is a chemical compound with molecular formula C28H42ClN3O3 and molecular weight 503.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-hydroxyethyl-[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-methyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide;hydrochloride
Also Known As: Emoren, Oxethazaine hydrochloride, Oxethazaine HCl, Oxetacaine hydrochloride, Oxethazaine
| Molecular Formula | C28H42ClN3O3 |
|---|---|
| Molecular Weight | 503.29 g/mol |
| LogP | 3.66 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 503.29147 |
| Heavy Atoms | 35 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 13930-31-9 |
|---|---|
| SMILES | CC(C)(CC1=CC=CC=C1)N(C)C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC2=CC=CC=C2.Cl |
| InChIKey | AFFQPCNKJKMLTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxetacaine Hydrochloride (CAS 13930-31-9), with molecular formula C28H42ClN3O3 and molecular weight 503.29 g/mol. IUPAC: 2-[2-hydroxyethyl-[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-methyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide;hydrochloride.
Chemical Property Profile of Oxetacaine Hydrochloride
Property Insights of Oxetacaine Hydrochloride
The XLogP value of 3.66 indicates that Oxetacaine Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxetacaine Hydrochloride. Following Lipinski's Rule of Five, Oxetacaine Hydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oxetacaine Hydrochloride?
The CAS number of Oxetacaine Hydrochloride is 13930-31-9.
What is the molecular formula of Oxetacaine Hydrochloride?
The molecular formula of Oxetacaine Hydrochloride is C28H42ClN3O3.
What is the molecular weight of Oxetacaine Hydrochloride?
The molecular weight of Oxetacaine Hydrochloride is 503.29 g/mol.
Where can I buy Oxetacaine Hydrochloride?
You can request a quote for Oxetacaine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxetacaine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Oxetacaine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.