N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperdinium
TL;DR: N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperdinium (CAS 69484-81-7) is a chemical compound with molecular formula C28H41ClN2O3 and molecular weight 488.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate chloride
Also Known As: Substance H+B, HPCBP, NIOSH/TN4434100, N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperidinium chloride, N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperdinium
| Molecular Formula | C28H41ClN2O3 |
|---|---|
| Molecular Weight | 488.28 g/mol |
| LogP | 3.7892 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 488.28058 |
| Heavy Atoms | 34 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 69484-81-7 |
|---|---|
| SMILES | CCCCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)CC3=CC=CC=C3.[Cl-] |
| InChIKey | JOWKNSKGURMPLK-UHFFFAOYSA-N |
Product Overview
N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperdinium (CAS 69484-81-7), with molecular formula C28H41ClN2O3 and molecular weight 488.28 g/mol. IUPAC: 2-(1-benzylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate chloride.
Chemical Property Profile of N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperdinium
Property Insights of N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperdinium
The XLogP value of 3.7892 indicates that N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperdinium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperdinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperdinium has 1 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 N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperdinium?
The CAS number of N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperdinium is 69484-81-7.
What is the molecular formula of N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperdinium?
The molecular formula of N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperdinium is C28H41ClN2O3.
What is the molecular weight of N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperdinium?
The molecular weight of N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperdinium is 488.28 g/mol.
Where can I buy N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperdinium?
You can request a quote for N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperdinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperdinium?
Yes, KEHONG BIO provides custom synthesis services for N-2-(2-Heptyloxyphenylcarbamoyloxy)ethyl-N-benzylpiperdinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.