RefChem:333072
TL;DR: RefChem:333072 (CAS 52224-30-3) 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.
2-piperidin-1-ium-1-ylethyl N-ethyl-N-(3-pentoxyphenyl)carbamate chloride
Also Known As: N-Ethyl-m-(pentyloxy)carbanilic acid 2-piperidinoethyl ester monohydrochloride, Carbamic acid, ethyl(3-(pentyloxy)phenyl)-, 2-(1-piperidinyl)ethyl ester, monohydrochloride, Carbanilic acid, N-ethyl-m-(pentyloxy)-, 2-piperidinoethyl ester, monohydrochloride, 2-piperidin-1-ium-1-ylethyl N-ethyl-N-(3-pentoxyphenyl)carbamate chloride, RefChem:333072
| Molecular Formula | C21H35ClN2O3 |
|---|---|
| Molecular Weight | 398.23 g/mol |
| LogP | 0.29 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 398.2336 |
| Heavy Atoms | 27 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 52224-30-3 |
|---|---|
| SMILES | CCCCCOC1=CC=CC(=C1)N(CC)C(=O)OCC[NH+]2CCCCC2.[Cl-] |
| InChIKey | JLAFRSWYDNQUSD-UHFFFAOYSA-N |
Product Overview
RefChem:333072 (CAS 52224-30-3), with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol. IUPAC: 2-piperidin-1-ium-1-ylethyl N-ethyl-N-(3-pentoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:333072
Property Insights of RefChem:333072
The XLogP value of 0.29 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:333072. With a topological polar surface area (TPSA) of 43.2 Ų, RefChem:333072 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:333072 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:333072?
The CAS number of RefChem:333072 is 52224-30-3.
What is the molecular formula of RefChem:333072?
The molecular formula of RefChem:333072 is C21H35ClN2O3.
What is the molecular weight of RefChem:333072?
The molecular weight of RefChem:333072 is 398.23 g/mol.
Where can I buy RefChem:333072?
You can request a quote for RefChem:333072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:333072?
Yes, KEHONG BIO provides custom synthesis services for RefChem:333072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.