Carbanilic acid, o-(pentyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride
TL;DR: Carbanilic acid, o-(pentyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride (CAS 105384-11-0) is a chemical compound with molecular formula C21H35ClN2O3 and molecular weight 398.2336 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-butylpiperidin-1-ium-4-yl) N-(2-pentoxyphenyl)carbamate chloride
Also Known As: PAK 4425, o-(Pentyloxy)carbanilic acid 1-butyl-4-piperidyl ester hydrochloride, Carbamic acid, (2-(pentyloxy)phenyl)-, 1-butyl-4-piperidinyl ester, monohydrochloride, CARBANILIC ACID, o-(PENTYLOXY)-, 1-BUTYL-4-PIPERIDYL ESTER, HYDROCHLORIDE, (1-butylpiperidin-1-ium-4-yl) N-(2-pentoxyphenyl)carbamate chloride
Technical Specifications
| Molecular Formula | C21H35ClN2O3 |
| Molecular Weight | 398.2336 g/mol |
| XLogP | 0.66 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 398.2336 Da |
| Heavy Atoms | 27 |
| Complexity | 383.0 |
| SMILES | CCCCCOC1=CC=CC=C1NC(=O)OC2CC[NH+](CC2)CCCC.[Cl-] |
| InChIKey | STAKFIPGKXCGEL-UHFFFAOYSA-N |
Chemical Property Profile of Carbanilic acid, o-(pentyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride
Property Insights of Carbanilic acid, o-(pentyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride
The XLogP value of 0.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, o-(pentyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride. With a topological polar surface area (TPSA) of 52.0 Ų, Carbanilic acid, o-(pentyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, o-(pentyloxy)-, 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
What is the CAS number of Carbanilic acid, o-(pentyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride?
The CAS number of Carbanilic acid, o-(pentyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride is 105384-11-0.
What is the molecular formula of Carbanilic acid, o-(pentyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride?
The molecular formula of Carbanilic acid, o-(pentyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride is C21H35ClN2O3.
What is the molecular weight of Carbanilic acid, o-(pentyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride?
The molecular weight of Carbanilic acid, o-(pentyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride is 398.2336 g/mol.
Where can I buy Carbanilic acid, o-(pentyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride?
You can request a quote for Carbanilic acid, o-(pentyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbanilic acid, o-(pentyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Carbanilic acid, o-(pentyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.