(3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride
TL;DR: (3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride (CAS 55792-25-1) is a chemical compound with molecular formula C22H37ClN2O3 and molecular weight 412.25 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-octoxyphenyl)carbamate chloride
Also Known As: (3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride, Carbamic acid, (3-(octyloxy)phenyl)-, 2-(1-piperidinyl)ethyl ester, monohydrochloride, 2-piperidin-1-ium-1-ylethyl N-(3-octoxyphenyl)carbamate chloride, CARBAMIC ACID, (3-(OCTYLOXY)PHENYL)-, 2-(1-PIPERIDINYL)ETHYL ESTER, MONOHYDROCHL
| Molecular Formula | C22H37ClN2O3 |
|---|---|
| Molecular Weight | 412.25 g/mol |
| LogP | 1.05 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 412.24927 |
| Heavy Atoms | 28 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 55792-25-1 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=CC(=C1)NC(=O)OCC[NH+]2CCCCC2.[Cl-] |
| InChIKey | POYVBLZDHNJRJS-UHFFFAOYSA-N |
Product Overview
(3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride (CAS 55792-25-1), with molecular formula C22H37ClN2O3 and molecular weight 412.25 g/mol. IUPAC: 2-piperidin-1-ium-1-ylethyl N-(3-octoxyphenyl)carbamate chloride.
Chemical Property Profile of (3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride
Property Insights of (3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride
The XLogP value of 1.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride. With a topological polar surface area (TPSA) of 52.0 Ų, (3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl 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 (3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride?
The CAS number of (3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride is 55792-25-1.
What is the molecular formula of (3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride?
The molecular formula of (3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride is C22H37ClN2O3.
What is the molecular weight of (3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride?
The molecular weight of (3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride is 412.25 g/mol.
Where can I buy (3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride?
You can request a quote for (3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.