Methyl 1-(benzylsulfonyl)piperidine-4-carboxylate
TL;DR: Methyl 1-(benzylsulfonyl)piperidine-4-carboxylate (CAS 349612-92-6) is a chemical compound with molecular formula C14H19NO4S and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-benzylsulfonylpiperidine-4-carboxylate
Also Known As: methyl 1-(benzylsulfonyl)piperidine-4-carboxylate, methyl 1-benzylsulfonylpiperidine-4-carboxylate, AJ-292/40797343, methyl 1-(benzylsulfonyl)-4-piperidinecarboxylate, methyl 1-[benzylsulfonyl]piperidine-4-carboxylate
| Molecular Formula | C14H19NO4S |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.1035 |
| Heavy Atoms | 20 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 349612-92-6 |
|---|---|
| SMILES | COC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2 |
| InChIKey | CYZXCZJHZQDDGM-UHFFFAOYSA-N |
Product Overview
Methyl 1-(benzylsulfonyl)piperidine-4-carboxylate (CAS 349612-92-6), with molecular formula C14H19NO4S and molecular weight 297.10 g/mol. IUPAC: methyl 1-benzylsulfonylpiperidine-4-carboxylate.
Chemical Property Profile of Methyl 1-(benzylsulfonyl)piperidine-4-carboxylate
Property Insights of Methyl 1-(benzylsulfonyl)piperidine-4-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(benzylsulfonyl)piperidine-4-carboxylate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-(benzylsulfonyl)piperidine-4-carboxylate. Following Lipinski's Rule of Five, Methyl 1-(benzylsulfonyl)piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 5 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-(benzylsulfonyl)piperidine-4-carboxylate?
The CAS number of Methyl 1-(benzylsulfonyl)piperidine-4-carboxylate is 349612-92-6.
What is the molecular formula of Methyl 1-(benzylsulfonyl)piperidine-4-carboxylate?
The molecular formula of Methyl 1-(benzylsulfonyl)piperidine-4-carboxylate is C14H19NO4S.
What is the molecular weight of Methyl 1-(benzylsulfonyl)piperidine-4-carboxylate?
The molecular weight of Methyl 1-(benzylsulfonyl)piperidine-4-carboxylate is 297.10 g/mol.
Where can I buy Methyl 1-(benzylsulfonyl)piperidine-4-carboxylate?
You can request a quote for Methyl 1-(benzylsulfonyl)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-(benzylsulfonyl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(benzylsulfonyl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.