Methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate
TL;DR: Methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate (CAS 349618-64-0) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate
Also Known As: BAS 03033045, methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate, methyl 1-[(3,4-dimethylphenyl)carbonyl]piperidine-4-carboxylate, 1-(3,4-Dimethyl-benzoyl)-piperidine-4-carboxylic acid methyl ester
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 349618-64-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)OC)C |
| InChIKey | SJERUOZYZJOKAQ-UHFFFAOYSA-N |
Product Overview
Methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate (CAS 349618-64-0), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate.
Chemical Property Profile of Methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate
Property Insights of Methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, Methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 3 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 Methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate?
The CAS number of Methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate is 349618-64-0.
What is the molecular formula of Methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate?
The molecular formula of Methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate is C16H21NO3.
What is the molecular weight of Methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate?
The molecular weight of Methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate is 275.15 g/mol.
Where can I buy Methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate?
You can request a quote for Methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(3,4-dimethylbenzoyl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.