Carbanilic acid, o-(heptyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride
TL;DR: Carbanilic acid, o-(heptyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride (CAS 105384-13-2) is a chemical compound with molecular formula C23H39ClN2O3 and molecular weight 426.26492 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-heptoxyphenyl)carbamate chloride
Also Known As: PAK 4427, o-(Heptyloxy)carbanilic acid 1-butyl-4-piperidyl ester hydrochloride, CARBANILIC ACID, o-(HEPTYLOXY)-, 1-BUTYL-4-PIPERIDYL ESTER, HYDROCHLORIDE, Carbamic acid, (2-(heptyloxy)phenyl)-, 1-butyl-4-piperidinyl ester, monohydrochloride, (1-butylpiperidin-1-ium-4-yl) N-(2-heptoxyphenyl)carbamate chloride
Technical Specifications
| Molecular Formula | C23H39ClN2O3 |
| Molecular Weight | 426.26492 g/mol |
| XLogP | 1.44 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 426.26492 Da |
| Heavy Atoms | 29 |
| Complexity | 411.0 |
| SMILES | CCCCCCCOC1=CC=CC=C1NC(=O)OC2CC[NH+](CC2)CCCC.[Cl-] |
| InChIKey | NQKRYXNAVXGWQI-UHFFFAOYSA-N |
Chemical Property Profile of Carbanilic acid, o-(heptyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride
Property Insights of Carbanilic acid, o-(heptyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride
The XLogP value of 1.44 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, o-(heptyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride. With a topological polar surface area (TPSA) of 52.0 Ų, Carbanilic acid, o-(heptyloxy)-, 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-(heptyloxy)-, 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-(heptyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride?
The CAS number of Carbanilic acid, o-(heptyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride is 105384-13-2.
What is the molecular formula of Carbanilic acid, o-(heptyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride?
The molecular formula of Carbanilic acid, o-(heptyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride is C23H39ClN2O3.
What is the molecular weight of Carbanilic acid, o-(heptyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride?
The molecular weight of Carbanilic acid, o-(heptyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride is 426.26492 g/mol.
Where can I buy Carbanilic acid, o-(heptyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride?
You can request a quote for Carbanilic acid, o-(heptyloxy)-, 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-(heptyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Carbanilic acid, o-(heptyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.