Cepacaine
TL;DR: Cepacaine (CAS 75975-62-1) is a chemical compound with molecular formula C50H79Cl2N5O4 and molecular weight 883.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;ethyl 4-aminobenzoate;1-hexadecylpyridin-1-ium;chloride;hydrochloride
Also Known As: Cepacaine, 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;ethyl 4-aminobenzoate;1-hexadecylpyridin-1-ium;chloride;hydrochloride, Pyridinium, 1-hexadecyl-, chloride, mixt. with 2-butoxy-N-(2-(diethylamino)ethyl)-4-quinolinecarboxamide monohydrochloride and ethyl 4-aminobenzoate, 1-hexadecyl-pyridinium chloride, mixt. with 2-butoxy-n-(2-(diethylamino)ethyl)-4-quinolinecarboxamide monohydrochloride and ethyl 4-aminobenzoate, 2-butoxy-N-(2-diethylaminoethyl)quinoline-4-carboxamide; ethyl 4-aminobenzoate; 1-hexadecylpyridin-1-ium; chloride; hydrochloride
| Molecular Formula | C50H79Cl2N5O4 |
|---|---|
| Molecular Weight | 883.55 g/mol |
| LogP | 8.812 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 28 |
| Exact Mass | 883.5509 |
| Heavy Atoms | 61 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 75975-62-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC.CCOC(=O)C1=CC=C(C=C1)N.Cl.[Cl-] |
| InChIKey | RODMTGVAYFKSFW-UHFFFAOYSA-M |
Product Overview
Cepacaine (CAS 75975-62-1), with molecular formula C50H79Cl2N5O4 and molecular weight 883.55 g/mol. IUPAC: 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;ethyl 4-aminobenzoate;1-hexadecylpyridin-1-ium;chloride;hydrochloride.
Chemical Property Profile of Cepacaine
Property Insights of Cepacaine
The XLogP value of 8.812 indicates that Cepacaine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cepacaine. Following Lipinski's Rule of Five, Cepacaine has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cepacaine?
The CAS number of Cepacaine is 75975-62-1.
What is the molecular formula of Cepacaine?
The molecular formula of Cepacaine is C50H79Cl2N5O4.
What is the molecular weight of Cepacaine?
The molecular weight of Cepacaine is 883.55 g/mol.
Where can I buy Cepacaine?
You can request a quote for Cepacaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cepacaine?
Yes, KEHONG BIO provides custom synthesis services for Cepacaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.