1-Methylpiperidin-4-yl 3,4,5-trimethoxybenzoate
TL;DR: 1-Methylpiperidin-4-yl 3,4,5-trimethoxybenzoate (CAS 98015-79-3) is a chemical compound with molecular formula C16H23NO5 and molecular weight 309.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 3,4,5-trimethoxybenzoate
Also Known As: BAS 06710891, 1-methylpiperidin-4-yl 3,4,5-trimethoxybenzoate, (1-methylpiperidin-4-yl) 3,4,5-trimethoxybenzoate, 1-methyl-4-piperidinyl 3,4,5-trimethoxybenzoate, AA-504/08010060
| Molecular Formula | C16H23NO5 |
|---|---|
| Molecular Weight | 309.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.15762 |
| Heavy Atoms | 22 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 98015-79-3 |
|---|---|
| SMILES | CN1CCC(CC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC |
| InChIKey | KMYOKMGCEJIEPW-UHFFFAOYSA-N |
Product Overview
1-Methylpiperidin-4-yl 3,4,5-trimethoxybenzoate (CAS 98015-79-3), with molecular formula C16H23NO5 and molecular weight 309.16 g/mol. IUPAC: (1-methylpiperidin-4-yl) 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 1-Methylpiperidin-4-yl 3,4,5-trimethoxybenzoate
Property Insights of 1-Methylpiperidin-4-yl 3,4,5-trimethoxybenzoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylpiperidin-4-yl 3,4,5-trimethoxybenzoate. With a topological polar surface area (TPSA) of 57.2 Ų, 1-Methylpiperidin-4-yl 3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpiperidin-4-yl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 6 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 1-Methylpiperidin-4-yl 3,4,5-trimethoxybenzoate?
The CAS number of 1-Methylpiperidin-4-yl 3,4,5-trimethoxybenzoate is 98015-79-3.
What is the molecular formula of 1-Methylpiperidin-4-yl 3,4,5-trimethoxybenzoate?
The molecular formula of 1-Methylpiperidin-4-yl 3,4,5-trimethoxybenzoate is C16H23NO5.
What is the molecular weight of 1-Methylpiperidin-4-yl 3,4,5-trimethoxybenzoate?
The molecular weight of 1-Methylpiperidin-4-yl 3,4,5-trimethoxybenzoate is 309.16 g/mol.
Where can I buy 1-Methylpiperidin-4-yl 3,4,5-trimethoxybenzoate?
You can request a quote for 1-Methylpiperidin-4-yl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylpiperidin-4-yl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylpiperidin-4-yl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.