RefChem:1066444
TL;DR: RefChem:1066444 (CAS 66902-56-5) is a chemical compound with molecular formula C19H30ClNO3 and molecular weight 355.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 2-(4-methoxyphenyl)acetate chloride
Also Known As: p-Methoxyphenylacetic acid 3-(2,6-dimethylpiperidino)propyl ester hydrochloride, Acetic acid, p-methoxyphenyl-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride, 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 2-(4-methoxyphenyl)acetate chloride, 3-(2,6-Dimethylpiperidin-1-yl)propyl (4-methoxyphenyl)acetate--hydrogen chloride (1/1), Benzeneacetic acid, 4-methoxy-, 3-(2,6-dimethyl-1-piperidinyl)propyl ester, hydrochloride
| Molecular Formula | C19H30ClNO3 |
|---|---|
| Molecular Weight | 355.19 g/mol |
| LogP | -0.98 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 355.1914 |
| Heavy Atoms | 24 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 66902-56-5 |
|---|---|
| SMILES | CC1CCCC([NH+]1CCCOC(=O)CC2=CC=C(C=C2)OC)C.[Cl-] |
| InChIKey | MAKOPNFIDQYEKT-UHFFFAOYSA-N |
Product Overview
RefChem:1066444 (CAS 66902-56-5), with molecular formula C19H30ClNO3 and molecular weight 355.19 g/mol. IUPAC: 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 2-(4-methoxyphenyl)acetate chloride.
Chemical Property Profile of RefChem:1066444
Property Insights of RefChem:1066444
The XLogP value of -0.98 indicates that RefChem:1066444 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:1066444 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066444 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:1066444?
The CAS number of RefChem:1066444 is 66902-56-5.
What is the molecular formula of RefChem:1066444?
The molecular formula of RefChem:1066444 is C19H30ClNO3.
What is the molecular weight of RefChem:1066444?
The molecular weight of RefChem:1066444 is 355.19 g/mol.
Where can I buy RefChem:1066444?
You can request a quote for RefChem:1066444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066444?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.