Carbanilic acid, o-(hexyloxy)-, 3-piperidinopropyl ester, hydrochloride
TL;DR: Carbanilic acid, o-(hexyloxy)-, 3-piperidinopropyl ester, hydrochloride (CAS 65720-12-9) is a chemical compound with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-piperidin-1-ium-1-ylpropyl N-(2-hexoxyphenyl)carbamate chloride
Also Known As: o-(Hexyloxy)carbanilic acid 3-piperidinopropyl ester hydrochloride, Carbamic acid, (2-(hexyloxy)phenyl)-, 3-(1-piperidinyl)propyl ester, hydrochloride, CARBANILIC ACID, o-(HEXYLOXY)-, 3-PIPERIDINOPROPYL ESTER, HYDROCHLORIDE, 3-piperidin-1-ium-1-ylpropyl N-(2-hexoxyphenyl)carbamate chloride
| Molecular Formula | C21H35ClN2O3 |
|---|---|
| Molecular Weight | 398.23 g/mol |
| LogP | 0.66 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 398.2336 |
| Heavy Atoms | 27 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 65720-12-9 |
|---|---|
| SMILES | CCCCCCOC1=CC=CC=C1NC(=O)OCCC[NH+]2CCCCC2.[Cl-] |
| InChIKey | XESYEXPHTYXILA-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, o-(hexyloxy)-, 3-piperidinopropyl ester, hydrochloride (CAS 65720-12-9), with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol. IUPAC: 3-piperidin-1-ium-1-ylpropyl N-(2-hexoxyphenyl)carbamate chloride.
Chemical Property Profile of Carbanilic acid, o-(hexyloxy)-, 3-piperidinopropyl ester, hydrochloride
Property Insights of Carbanilic acid, o-(hexyloxy)-, 3-piperidinopropyl ester, hydrochloride
The XLogP value of 0.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, o-(hexyloxy)-, 3-piperidinopropyl ester, hydrochloride. With a topological polar surface area (TPSA) of 52.0 Ų, Carbanilic acid, o-(hexyloxy)-, 3-piperidinopropyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, o-(hexyloxy)-, 3-piperidinopropyl 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, o-(hexyloxy)-, 3-piperidinopropyl ester, hydrochloride?
The CAS number of Carbanilic acid, o-(hexyloxy)-, 3-piperidinopropyl ester, hydrochloride is 65720-12-9.
What is the molecular formula of Carbanilic acid, o-(hexyloxy)-, 3-piperidinopropyl ester, hydrochloride?
The molecular formula of Carbanilic acid, o-(hexyloxy)-, 3-piperidinopropyl ester, hydrochloride is C21H35ClN2O3.
What is the molecular weight of Carbanilic acid, o-(hexyloxy)-, 3-piperidinopropyl ester, hydrochloride?
The molecular weight of Carbanilic acid, o-(hexyloxy)-, 3-piperidinopropyl ester, hydrochloride is 398.23 g/mol.
Where can I buy Carbanilic acid, o-(hexyloxy)-, 3-piperidinopropyl ester, hydrochloride?
You can request a quote for Carbanilic acid, o-(hexyloxy)-, 3-piperidinopropyl 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, o-(hexyloxy)-, 3-piperidinopropyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, o-(hexyloxy)-, 3-piperidinopropyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.