Carbanilic acid, m-butoxy-, 1-ethyl-4-piperidyl ester, hydrochloride
TL;DR: Carbanilic acid, m-butoxy-, 1-ethyl-4-piperidyl ester, hydrochloride (CAS 105384-00-7) is a chemical compound with molecular formula C18H29ClN2O3 and molecular weight 356.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-ethylpiperidin-1-ium-4-yl) N-(3-butoxyphenyl)carbamate chloride
Also Known As: PAK 4234, 1-Ethyl-4-piperidyl m-butoxycarbanilate hydrochloride, m-Butoxycarbanilic acid 1-ethyl-4-piperidyl ester hydrochloride, Carbamic acid, (3-butoxyphenyl)-, 1-ethyl-4-piperidinyl ester, monohydrochloride, CARBANILIC ACID, m-BUTOXY-, 1-ETHYL-4-PIPERIDYL ESTER, HYDROCHLORIDE
| Molecular Formula | C18H29ClN2O3 |
|---|---|
| Molecular Weight | 356.19 g/mol |
| LogP | -0.51 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 356.18668 |
| Heavy Atoms | 24 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 105384-00-7 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)NC(=O)OC2CC[NH+](CC2)CC.[Cl-] |
| InChIKey | XVKADYMNIJSMTA-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, m-butoxy-, 1-ethyl-4-piperidyl ester, hydrochloride (CAS 105384-00-7), with molecular formula C18H29ClN2O3 and molecular weight 356.19 g/mol. IUPAC: (1-ethylpiperidin-1-ium-4-yl) N-(3-butoxyphenyl)carbamate chloride.
Chemical Property Profile of Carbanilic acid, m-butoxy-, 1-ethyl-4-piperidyl ester, hydrochloride
Property Insights of Carbanilic acid, m-butoxy-, 1-ethyl-4-piperidyl ester, hydrochloride
The XLogP value of -0.51 indicates that Carbanilic acid, m-butoxy-, 1-ethyl-4-piperidyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.0 Ų, Carbanilic acid, m-butoxy-, 1-ethyl-4-piperidyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, m-butoxy-, 1-ethyl-4-piperidyl 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-butoxy-, 1-ethyl-4-piperidyl ester, hydrochloride?
The CAS number of Carbanilic acid, m-butoxy-, 1-ethyl-4-piperidyl ester, hydrochloride is 105384-00-7.
What is the molecular formula of Carbanilic acid, m-butoxy-, 1-ethyl-4-piperidyl ester, hydrochloride?
The molecular formula of Carbanilic acid, m-butoxy-, 1-ethyl-4-piperidyl ester, hydrochloride is C18H29ClN2O3.
What is the molecular weight of Carbanilic acid, m-butoxy-, 1-ethyl-4-piperidyl ester, hydrochloride?
The molecular weight of Carbanilic acid, m-butoxy-, 1-ethyl-4-piperidyl ester, hydrochloride is 356.19 g/mol.
Where can I buy Carbanilic acid, m-butoxy-, 1-ethyl-4-piperidyl ester, hydrochloride?
You can request a quote for Carbanilic acid, m-butoxy-, 1-ethyl-4-piperidyl 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-butoxy-, 1-ethyl-4-piperidyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, m-butoxy-, 1-ethyl-4-piperidyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.