RefChem:333070
TL;DR: RefChem:333070 (CAS 52205-55-7) is a chemical compound with molecular formula C23H39ClN2O3 and molecular weight 426.26 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-hexoxyphenyl)carbamate chloride
Also Known As: Carbanilic acid, N-ethyl-m-(hexyloxy)-, 1-methyl-2-piperidinoethyl ester, monohydrochloride, 1-Methyl-2-piperidinoethyl N-ethyl-m-(hexyloxy)carbanilate hydrochloride, N-Ethyl-m-(hexyloxy)carbanilic acid 1-methyl-2-piperidinoethyl ester monohydrochloride, 1-Piperidin-1-ium-1-ylpropan-2-yl N-ethyl-N-(3-hexoxyphenyl)carbamatechloride, 1-piperidin-1-ium-1-ylpropan-2-yl N-ethyl-N-(3-hexoxyphenyl)carbamate chloride
| Molecular Formula | C23H39ClN2O3 |
|---|---|
| Molecular Weight | 426.26 g/mol |
| LogP | 1.07 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 426.26492 |
| Heavy Atoms | 29 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 52205-55-7 |
|---|---|
| SMILES | CCCCCCOC1=CC=CC(=C1)N(CC)C(=O)OC(C)C[NH+]2CCCCC2.[Cl-] |
| InChIKey | UCIKXLVHXUOCLT-UHFFFAOYSA-N |
Product Overview
RefChem:333070 (CAS 52205-55-7), with molecular formula C23H39ClN2O3 and molecular weight 426.26 g/mol. IUPAC: 1-piperidin-1-ium-1-ylpropan-2-yl N-ethyl-N-(3-hexoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:333070
Property Insights of RefChem:333070
The XLogP value of 1.07 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:333070. With a topological polar surface area (TPSA) of 43.2 Ų, RefChem:333070 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:333070 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:333070?
The CAS number of RefChem:333070 is 52205-55-7.
What is the molecular formula of RefChem:333070?
The molecular formula of RefChem:333070 is C23H39ClN2O3.
What is the molecular weight of RefChem:333070?
The molecular weight of RefChem:333070 is 426.26 g/mol.
Where can I buy RefChem:333070?
You can request a quote for RefChem:333070 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:333070?
Yes, KEHONG BIO provides custom synthesis services for RefChem:333070 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.