Heptacaine
TL;DR: Heptacaine (CAS 55792-21-7) is a chemical compound with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-ium-1-ylethyl N-(2-heptoxyphenyl)carbamate chloride
Also Known As: Heptacaine, Piperidinoethyl 2-heptoxyphenylcarbamoate hydrochloride, 2-Heptyloxycarbanilic acid 2-(1-piperidinyl)ethyl ester hydrochloride, N-(2-(Heptyloxyphenylcarbamoyloxy)ethyl)piperidinium chloride, N-2-(2-heptyloxyphenylcarbamoyloxy)ethylpiperidinium.C1
| Molecular Formula | C21H35ClN2O3 |
|---|---|
| Molecular Weight | 398.23 g/mol |
| LogP | 0.66 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 398.2336 |
| Heavy Atoms | 27 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 55792-21-7 |
|---|---|
| SMILES | CCCCCCCOC1=CC=CC=C1NC(=O)OCC[NH+]2CCCCC2.[Cl-] |
| InChIKey | FPPCQURAUSZVBZ-UHFFFAOYSA-N |
Product Overview
Heptacaine (CAS 55792-21-7), with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol. IUPAC: 2-piperidin-1-ium-1-ylethyl N-(2-heptoxyphenyl)carbamate chloride.
Chemical Property Profile of Heptacaine
Property Insights of Heptacaine
The XLogP value of 0.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptacaine. With a topological polar surface area (TPSA) of 52.0 Ų, Heptacaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptacaine has 2 hydrogen bond donor(s) and 4 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 Heptacaine?
The CAS number of Heptacaine is 55792-21-7.
What is the molecular formula of Heptacaine?
The molecular formula of Heptacaine is C21H35ClN2O3.
What is the molecular weight of Heptacaine?
The molecular weight of Heptacaine is 398.23 g/mol.
Where can I buy Heptacaine?
You can request a quote for Heptacaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptacaine?
Yes, KEHONG BIO provides custom synthesis services for Heptacaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.