Carbanilic acid, m-butoxy-, 1-butyl-4-piperidyl ester, hydrochloride
TL;DR: Carbanilic acid, m-butoxy-, 1-butyl-4-piperidyl ester, hydrochloride (CAS 105384-14-3) is a chemical compound with molecular formula C20H33ClN2O3 and molecular weight 384.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-butylpiperidin-1-ium-4-yl) N-(3-butoxyphenyl)carbamate chloride
Also Known As: PAK 4434, m-Butoxycarbanilic acid 1-butyl-4-piperidyl ester hydrochloride, Carbamic acid, (3-butoxyphenyl)-, 1-butyl-4-piperidinyl ester, monohydrochloride, 4-{[(3-butoxyphenyl)carbamoyl]oxy}-1-butylpiperidinium chloride, CARBANILIC ACID, m-BUTOXY-, 1-BUTYL-4-PIPERIDYL ESTER, HYDROCHLORIDE
| Molecular Formula | C20H33ClN2O3 |
|---|---|
| Molecular Weight | 384.22 g/mol |
| LogP | 0.27 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 384.21796 |
| Heavy Atoms | 26 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 105384-14-3 |
|---|---|
| SMILES | CCCC[NH+]1CCC(CC1)OC(=O)NC2=CC(=CC=C2)OCCCC.[Cl-] |
| InChIKey | AXCCMIYOXQLVAN-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, m-butoxy-, 1-butyl-4-piperidyl ester, hydrochloride (CAS 105384-14-3), with molecular formula C20H33ClN2O3 and molecular weight 384.22 g/mol. IUPAC: (1-butylpiperidin-1-ium-4-yl) N-(3-butoxyphenyl)carbamate chloride.
Chemical Property Profile of Carbanilic acid, m-butoxy-, 1-butyl-4-piperidyl ester, hydrochloride
Property Insights of Carbanilic acid, m-butoxy-, 1-butyl-4-piperidyl ester, hydrochloride
The XLogP value of 0.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, m-butoxy-, 1-butyl-4-piperidyl ester, hydrochloride. With a topological polar surface area (TPSA) of 52.0 Ų, Carbanilic acid, m-butoxy-, 1-butyl-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-butyl-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-butyl-4-piperidyl ester, hydrochloride?
The CAS number of Carbanilic acid, m-butoxy-, 1-butyl-4-piperidyl ester, hydrochloride is 105384-14-3.
What is the molecular formula of Carbanilic acid, m-butoxy-, 1-butyl-4-piperidyl ester, hydrochloride?
The molecular formula of Carbanilic acid, m-butoxy-, 1-butyl-4-piperidyl ester, hydrochloride is C20H33ClN2O3.
What is the molecular weight of Carbanilic acid, m-butoxy-, 1-butyl-4-piperidyl ester, hydrochloride?
The molecular weight of Carbanilic acid, m-butoxy-, 1-butyl-4-piperidyl ester, hydrochloride is 384.22 g/mol.
Where can I buy Carbanilic acid, m-butoxy-, 1-butyl-4-piperidyl ester, hydrochloride?
You can request a quote for Carbanilic acid, m-butoxy-, 1-butyl-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-butyl-4-piperidyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, m-butoxy-, 1-butyl-4-piperidyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.