Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride
TL;DR: Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride (CAS 55792-22-8) 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-(3-heptoxyphenyl)carbamate chloride
Also Known As: N-(2-(3-Heptyloxyphenylcarbamoyloxy)ethyl)piperidinium chloride, m-Heptyloxycarbanilic acid, 2-piperidinoethyl ester hydrochloride, Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride, (3-(Heptyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride, Carbamic acid, (3-(heptyloxy)phenyl)-, 2-(1-piperidinyl)ethyl ester, monohydrochloride
| 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 | 55792-22-8 |
|---|---|
| SMILES | CCCCCCCOC1=CC=CC(=C1)NC(=O)OCC[NH+]2CCCCC2.[Cl-] |
| InChIKey | FWXCTXLSDFLQJC-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride (CAS 55792-22-8), with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol. IUPAC: 2-piperidin-1-ium-1-ylethyl N-(3-heptoxyphenyl)carbamate chloride.
Chemical Property Profile of Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride
Property Insights of Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride
The XLogP value of 0.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride. With a topological polar surface area (TPSA) of 52.0 Ų, Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride 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 Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride?
The CAS number of Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride is 55792-22-8.
What is the molecular formula of Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride?
The molecular formula of Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride is C21H35ClN2O3.
What is the molecular weight of Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride?
The molecular weight of Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride is 398.23 g/mol.
Where can I buy Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride?
You can request a quote for Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.