Heptacaine N-oxide
TL;DR: Heptacaine N-oxide (CAS 77463-82-2) is a chemical compound with molecular formula C21H35ClN2O4 and molecular weight 414.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-oxidopiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate;hydrochloride
Also Known As: Heptacaine N-oxide, (2-(Heptyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester N-oxide hydrochloride, Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(1-piperidinyl)ethyl ester, N-oxide, monohydrochloride, 2-(1-oxidopiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate hydrochloride, 2-(1-Oxo-1lambda~5~-piperidin-1-yl)ethyl [2-(heptyloxy)phenyl]carbamate--hydrogen chloride (1/1)
| Molecular Formula | C21H35ClN2O4 |
|---|---|
| Molecular Weight | 414.23 g/mol |
| LogP | 5.5046 |
| Topological Polar Surface Area | 70.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 414.22855 |
| Heavy Atoms | 28 |
| Complexity | 565.0915 |
Chemical Identifiers
| CAS Number | 77463-82-2 |
|---|---|
| SMILES | CCCCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)[O-].Cl |
Product Overview
Heptacaine N-oxide (CAS 77463-82-2), with molecular formula C21H35ClN2O4 and molecular weight 414.23 g/mol. IUPAC: 2-(1-oxidopiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate;hydrochloride.
Chemical Property Profile of Heptacaine N-oxide
Property Insights of Heptacaine N-oxide
The XLogP value of 5.5046 indicates that Heptacaine N-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptacaine N-oxide. Following Lipinski's Rule of Five, Heptacaine N-oxide has 1 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 Heptacaine N-oxide?
The CAS number of Heptacaine N-oxide is 77463-82-2.
What is the molecular formula of Heptacaine N-oxide?
The molecular formula of Heptacaine N-oxide is C21H35ClN2O4.
What is the molecular weight of Heptacaine N-oxide?
The molecular weight of Heptacaine N-oxide is 414.23 g/mol.
Where can I buy Heptacaine N-oxide?
You can request a quote for Heptacaine N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptacaine N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Heptacaine N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.