RefChem:1059119
TL;DR: RefChem:1059119 (CAS 67032-38-6) is a chemical compound with molecular formula C22H36ClNO3 and molecular weight 397.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] 4-butoxybenzoate chloride
Also Known As: Benzoic acid, p-butoxy-, 2,2-dimethyl-3-(4-methylpiperidino)propyl ester, hydrochloride, p-Butoxybenzoic acid 2,2-dimethyl-3-(4-methylpiperidino)propyl ester hydrochloride, [2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] 4-butoxybenzoate chloride, [2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] 4-butoxybenzoatechloride, [2,2-Dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl]4-butoxybenzoatechloride
| Molecular Formula | C22H36ClNO3 |
|---|---|
| Molecular Weight | 397.24 g/mol |
| LogP | 0.37 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 397.23837 |
| Heavy Atoms | 27 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 67032-38-6 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)OCC(C)(C)C[NH+]2CCC(CC2)C.[Cl-] |
| InChIKey | WZLZEIWPOZLUQT-UHFFFAOYSA-N |
Product Overview
RefChem:1059119 (CAS 67032-38-6), with molecular formula C22H36ClNO3 and molecular weight 397.24 g/mol. IUPAC: [2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] 4-butoxybenzoate chloride.
Chemical Property Profile of RefChem:1059119
Property Insights of RefChem:1059119
The XLogP value of 0.37 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1059119. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:1059119 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1059119 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:1059119?
The CAS number of RefChem:1059119 is 67032-38-6.
What is the molecular formula of RefChem:1059119?
The molecular formula of RefChem:1059119 is C22H36ClNO3.
What is the molecular weight of RefChem:1059119?
The molecular weight of RefChem:1059119 is 397.24 g/mol.
Where can I buy RefChem:1059119?
You can request a quote for RefChem:1059119 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1059119?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1059119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.