RefChem:1066557
TL;DR: RefChem:1066557 (CAS 66902-57-6) is a chemical compound with molecular formula C18H28ClNO3 and molecular weight 341.18 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-methoxyphenyl)acetate chloride
Also Known As: p-Methoxyphenylacetic acid 3-(2-methylpiperidino)propyl ester hydrochloride, ACETIC ACID, p-METHOXYPHENYL-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-(4-methoxyphenyl)acetate chloride, 3-(2-Methylpiperidin-1-yl)propyl (4-methoxyphenyl)acetate--hydrogen chloride (1/1), Benzeneacetic acid, 4-methoxy-, 3-(2-methyl-1-piperidinyl)propyl ester, hydrochloride
| Molecular Formula | C18H28ClNO3 |
|---|---|
| Molecular Weight | 341.18 g/mol |
| LogP | -1.37 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 341.17578 |
| Heavy Atoms | 23 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 66902-57-6 |
|---|---|
| SMILES | CC1CCCC[NH+]1CCCOC(=O)CC2=CC=C(C=C2)OC.[Cl-] |
| InChIKey | COYUZNGFWOBUSU-UHFFFAOYSA-N |
Product Overview
RefChem:1066557 (CAS 66902-57-6), with molecular formula C18H28ClNO3 and molecular weight 341.18 g/mol. IUPAC: 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-(4-methoxyphenyl)acetate chloride.
Chemical Property Profile of RefChem:1066557
Property Insights of RefChem:1066557
The XLogP value of -1.37 indicates that RefChem:1066557 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:1066557 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066557 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:1066557?
The CAS number of RefChem:1066557 is 66902-57-6.
What is the molecular formula of RefChem:1066557?
The molecular formula of RefChem:1066557 is C18H28ClNO3.
What is the molecular weight of RefChem:1066557?
The molecular weight of RefChem:1066557 is 341.18 g/mol.
Where can I buy RefChem:1066557?
You can request a quote for RefChem:1066557 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066557?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066557 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.