RefChem:1079310
TL;DR: RefChem:1079310 (CAS 67032-42-2) is a chemical compound with molecular formula C20H32ClNO3 and molecular weight 369.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylpiperidin-1-ium-1-yl)propan-2-yl 4-butoxybenzoate chloride
Also Known As: Benzoic acid, p-butoxy-, 1-methyl-2-(2-methylpiperidino)ethyl ester, hydrochloride, 1-(2-methylpiperidin-1-ium-1-yl)propan-2-yl 4-butoxybenzoate chloride, p-Butoxybenzoic acid 1-methyl-2-(2-methylpiperidino)ethyl ester hydrochloride, Benzoic acid, 4-butoxy-, 1-methyl-2-(2-methyl-1-piperidinyl)ethyl ester, hydrochloride, RefChem:1079310
| Molecular Formula | C20H32ClNO3 |
|---|---|
| Molecular Weight | 369.21 g/mol |
| LogP | -0.13 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 369.20706 |
| Heavy Atoms | 25 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 67032-42-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)OC(C)C[NH+]2CCCCC2C.[Cl-] |
| InChIKey | SQGCSAQJJHIFIN-UHFFFAOYSA-N |
Product Overview
RefChem:1079310 (CAS 67032-42-2), with molecular formula C20H32ClNO3 and molecular weight 369.21 g/mol. IUPAC: 1-(2-methylpiperidin-1-ium-1-yl)propan-2-yl 4-butoxybenzoate chloride.
Chemical Property Profile of RefChem:1079310
Property Insights of RefChem:1079310
The XLogP value of -0.13 indicates that RefChem:1079310 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:1079310 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1079310 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:1079310?
The CAS number of RefChem:1079310 is 67032-42-2.
What is the molecular formula of RefChem:1079310?
The molecular formula of RefChem:1079310 is C20H32ClNO3.
What is the molecular weight of RefChem:1079310?
The molecular weight of RefChem:1079310 is 369.21 g/mol.
Where can I buy RefChem:1079310?
You can request a quote for RefChem:1079310 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079310?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079310 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.