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Methyl 1-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate
TL;DR: Methyl 1-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate (CAS 331828-48-9) is a chemical compound with molecular formula C13H16ClNO4S and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
Also Known As: methyl 1-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate, Methyl 1-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate, BAS 00602900, methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate, methyl 1-(4-chlorobenzenesulfonyl)piperidine-4-carboxylate
| Molecular Formula | C13H16ClNO4S |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.04886 |
| Heavy Atoms | 20 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 331828-48-9 |
|---|---|
| SMILES | COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | MIFDXCORWWJRKF-UHFFFAOYSA-N |
Product Overview
Methyl 1-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate (CAS 331828-48-9), with molecular formula C13H16ClNO4S and molecular weight 317.05 g/mol. IUPAC: methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate.
Chemical Property Profile of Methyl 1-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate
Property Insights of Methyl 1-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate. Following Lipinski's Rule of Five, Methyl 1-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate 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-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate?
The CAS number of Methyl 1-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate is 331828-48-9.
What is the molecular formula of Methyl 1-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate?
The molecular formula of Methyl 1-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate is C13H16ClNO4S.
What is the molecular weight of Methyl 1-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate?
The molecular weight of Methyl 1-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate is 317.05 g/mol.
Where can I buy Methyl 1-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate?
You can request a quote for Methyl 1-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-[(4-chlorophenyl)sulfonyl]-4-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.