RefChem:1066583
TL;DR: RefChem:1066583 (CAS 67032-40-0) is a chemical compound with molecular formula C20H32ClNO4 and molecular weight 385.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpiperidin-1-ium-1-yl)propyl 4-butoxy-2-hydroxybenzoate chloride
Also Known As: 4-Butoxy-2-hydroxybenzoic acid 3-(2-methylpiperidino)propyl ester hydrochloride, Benzoic acid, 4-butoxy-2-hydroxy-, 3-(2-methylpiperino)propyl ester, hydrochloride, 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-butoxy-2-hydroxybenzoate chloride, 3-(2-Methylpiperidin-1-yl)propyl 4-butoxy-2-hydroxybenzoate--hydrogen chloride (1/1), Benzoic acid, 4-butoxy-2-hydroxy-, 3-(2-methyl-1-piperidinyl)propyl ester, hydrochloride
| Molecular Formula | C20H32ClNO4 |
|---|---|
| Molecular Weight | 385.20 g/mol |
| LogP | -0.42 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 385.202 |
| Heavy Atoms | 26 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 67032-40-0 |
|---|---|
| SMILES | CCCCOC1=CC(=C(C=C1)C(=O)OCCC[NH+]2CCCCC2C)O.[Cl-] |
| InChIKey | BCHCEGCHJSBTIW-UHFFFAOYSA-N |
Product Overview
RefChem:1066583 (CAS 67032-40-0), with molecular formula C20H32ClNO4 and molecular weight 385.20 g/mol. IUPAC: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-butoxy-2-hydroxybenzoate chloride.
Chemical Property Profile of RefChem:1066583
Property Insights of RefChem:1066583
The XLogP value of -0.42 indicates that RefChem:1066583 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1066583. Following Lipinski's Rule of Five, RefChem:1066583 has 2 hydrogen bond donor(s) and 5 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:1066583?
The CAS number of RefChem:1066583 is 67032-40-0.
What is the molecular formula of RefChem:1066583?
The molecular formula of RefChem:1066583 is C20H32ClNO4.
What is the molecular weight of RefChem:1066583?
The molecular weight of RefChem:1066583 is 385.20 g/mol.
Where can I buy RefChem:1066583?
You can request a quote for RefChem:1066583 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066583?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066583 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.