methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate
TL;DR: methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate (CAS 213534-31-7) is a chemical compound with molecular formula C14H18NO3+ and molecular weight 248.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate
Also Known As: methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate, (3R)-1-BENZYL-3-(METHOXYCARBONYL)-4-OXOPIPERIDIN-1-IUM
| Molecular Formula | C14H18NO3+ |
|---|---|
| Molecular Weight | 248.13 g/mol |
| LogP | -0.1665 |
| Topological Polar Surface Area | 47.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.12866 |
| Heavy Atoms | 18 |
| Complexity | 421.92505 |
Chemical Identifiers
| CAS Number | 213534-31-7 |
|---|---|
| SMILES | COC(=O)[C@@H]1C[NH+](CCC1=O)CC2=CC=CC=C2 |
Product Overview
methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate (CAS 213534-31-7), with molecular formula C14H18NO3+ and molecular weight 248.13 g/mol. IUPAC: methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate.
Chemical Property Profile of methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate
Property Insights of methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate
The XLogP value of -0.1665 indicates that methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.81 Ų, methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate has 1 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 (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate?
The CAS number of methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate is 213534-31-7.
What is the molecular formula of methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate?
The molecular formula of methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate is C14H18NO3+.
What is the molecular weight of methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate?
The molecular weight of methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate is 248.13 g/mol.
Where can I buy methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate?
You can request a quote for methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.