RefChem:1066556
TL;DR: RefChem:1066556 (CAS 66827-52-9) is a chemical compound with molecular formula C21H34ClNO3 and molecular weight 383.22 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 2-(4-butoxyphenyl)acetate chloride
Also Known As: p-Butoxyphenylacetic acid 3-(2-methylpiperidino)propyl ester hydrochloride, ACETIC ACID, p-BUTOXYPHENYL-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-(4-butoxyphenyl)acetate chloride, 3-(2-Methylpiperidin-1-yl)propyl (4-butoxyphenyl)acetate--hydrogen chloride (1/1), Benzeneacetic acid, 4-butoxy-, 3-(2-methyl-1-piperidinyl)propyl ester, hydrochloride
| Molecular Formula | C21H34ClNO3 |
|---|---|
| Molecular Weight | 383.22 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 383.22272 |
| Heavy Atoms | 26 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 66827-52-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)CC(=O)OCCC[NH+]2CCCCC2C.[Cl-] |
| InChIKey | GFCJQEMGDHNZNR-UHFFFAOYSA-N |
Product Overview
RefChem:1066556 (CAS 66827-52-9), with molecular formula C21H34ClNO3 and molecular weight 383.22 g/mol. IUPAC: 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-(4-butoxyphenyl)acetate chloride.
Chemical Property Profile of RefChem:1066556
Property Insights of RefChem:1066556
The XLogP value of -0.2 indicates that RefChem:1066556 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:1066556 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066556 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:1066556?
The CAS number of RefChem:1066556 is 66827-52-9.
What is the molecular formula of RefChem:1066556?
The molecular formula of RefChem:1066556 is C21H34ClNO3.
What is the molecular weight of RefChem:1066556?
The molecular weight of RefChem:1066556 is 383.22 g/mol.
Where can I buy RefChem:1066556?
You can request a quote for RefChem:1066556 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066556?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066556 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.