RefChem:1081093
TL;DR: RefChem:1081093 (CAS 52205-66-0) 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.
1-piperidin-1-ium-1-ylpropan-2-yl N-(3-butoxyphenyl)-N-ethylcarbamate chloride
Also Known As: m-Butoxy-N-ethylcarbanilic acid 1-methyl-2-piperidinoethyl ester monohydrochloride, 1-Methyl-2-piperidinoethyl m-butoxy-N-ethylcarbanilate hydrochloride, Carbanilic acid, m-butoxy-N-ethyl-, 1-methyl-2-piperidinoethyl ester, monohydrochloride, 1-piperidin-1-ium-1-ylpropan-2-yl N-(3-butoxyphenyl)-N-ethylcarbamate chloride, RefChem:1081093
| 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 | 10 |
| Exact Mass | 398.2336 |
| Heavy Atoms | 27 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 52205-66-0 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)N(CC)C(=O)OC(C)C[NH+]2CCCCC2.[Cl-] |
| InChIKey | XNSYZCVADDHPOX-UHFFFAOYSA-N |
Product Overview
RefChem:1081093 (CAS 52205-66-0), with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol. IUPAC: 1-piperidin-1-ium-1-ylpropan-2-yl N-(3-butoxyphenyl)-N-ethylcarbamate chloride.
Chemical Property Profile of RefChem:1081093
Property Insights of RefChem:1081093
The XLogP value of 0.29 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1081093. With a topological polar surface area (TPSA) of 43.2 Ų, RefChem:1081093 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1081093 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:1081093?
The CAS number of RefChem:1081093 is 52205-66-0.
What is the molecular formula of RefChem:1081093?
The molecular formula of RefChem:1081093 is C21H35ClN2O3.
What is the molecular weight of RefChem:1081093?
The molecular weight of RefChem:1081093 is 398.23 g/mol.
Where can I buy RefChem:1081093?
You can request a quote for RefChem:1081093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1081093?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1081093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.