RefChem:1054752
TL;DR: RefChem:1054752 (CAS 52205-65-9) 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.
1-piperidin-1-ium-1-ylpropan-2-yl N-ethyl-N-(3-propoxyphenyl)carbamate chloride
Also Known As: N-Ethyl-m-propoxycarbanilic acid 1-methyl-2-piperidinoethyl ester monohydrochloride, Carbanilic acid, N-ethyl-m-propoxy-, 1-methyl-2-piperidinoethyl ester, monohydrochloride, 1-(Piperidin-1-yl)propan-2-yl ethyl(3-propoxyphenyl)carbamate--hydrogen chloride (1/1), 1-piperidin-1-ium-1-ylpropan-2-yl N-ethyl-N-(3-propoxyphenyl)carbamate chloride, RefChem:1054752
| 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 | 9 |
| Exact Mass | 384.21796 |
| Heavy Atoms | 26 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 52205-65-9 |
|---|---|
| SMILES | CCCOC1=CC=CC(=C1)N(CC)C(=O)OC(C)C[NH+]2CCCCC2.[Cl-] |
| InChIKey | LOJKDMVMVWYBDX-UHFFFAOYSA-N |
Product Overview
RefChem:1054752 (CAS 52205-65-9), with molecular formula C20H33ClN2O3 and molecular weight 384.22 g/mol. IUPAC: 1-piperidin-1-ium-1-ylpropan-2-yl N-ethyl-N-(3-propoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:1054752
Property Insights of RefChem:1054752
The XLogP value of -0.1 indicates that RefChem:1054752 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:1054752 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054752 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:1054752?
The CAS number of RefChem:1054752 is 52205-65-9.
What is the molecular formula of RefChem:1054752?
The molecular formula of RefChem:1054752 is C20H33ClN2O3.
What is the molecular weight of RefChem:1054752?
The molecular weight of RefChem:1054752 is 384.22 g/mol.
Where can I buy RefChem:1054752?
You can request a quote for RefChem:1054752 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054752?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.