RefChem:333074
TL;DR: RefChem:333074 (CAS 52224-29-0) 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.
2-piperidin-1-ium-1-ylethyl N-methyl-N-(3-pentoxyphenyl)carbamate chloride
Also Known As: N-Methyl-m-(pentyloxy)carbanilic acid 2-piperidinoethyl ester monohydrochloride, Carbamic acid, methyl(3-(pentyloxy)phenyl)-, 2-(1-piperidinyl)ethyl ester, hydrochloride, Carbanilic acid, N-methyl-m-(pentyloxy)-, 2-piperidinoethyl ester, monohydrochloride, 2-piperidin-1-ium-1-ylethyl N-methyl-N-(3-pentoxyphenyl)carbamate chloride, RefChem:333074
| Molecular Formula | C20H33ClN2O3 |
|---|---|
| Molecular Weight | 384.22 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 384.21796 |
| Heavy Atoms | 26 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 52224-29-0 |
|---|---|
| SMILES | CCCCCOC1=CC=CC(=C1)N(C)C(=O)OCC[NH+]2CCCCC2.[Cl-] |
| InChIKey | UXLFQIRAUMTHFW-UHFFFAOYSA-N |
Product Overview
RefChem:333074 (CAS 52224-29-0), with molecular formula C20H33ClN2O3 and molecular weight 384.22 g/mol. IUPAC: 2-piperidin-1-ium-1-ylethyl N-methyl-N-(3-pentoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:333074
Property Insights of RefChem:333074
The XLogP value of -0.1 indicates that RefChem:333074 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.2 Ų, RefChem:333074 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:333074 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 RefChem:333074?
The CAS number of RefChem:333074 is 52224-29-0.
What is the molecular formula of RefChem:333074?
The molecular formula of RefChem:333074 is C20H33ClN2O3.
What is the molecular weight of RefChem:333074?
The molecular weight of RefChem:333074 is 384.22 g/mol.
Where can I buy RefChem:333074?
You can request a quote for RefChem:333074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:333074?
Yes, KEHONG BIO provides custom synthesis services for RefChem:333074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.