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Ethyl 1-[(4-phenoxyphenyl)sulfonyl]-4-piperidinecarboxylate
TL;DR: Ethyl 1-[(4-phenoxyphenyl)sulfonyl]-4-piperidinecarboxylate (CAS 681836-13-5) is a chemical compound with molecular formula C20H23NO5S and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate
Also Known As: ethyl 1-[(4-phenoxyphenyl)sulfonyl]-4-piperidinecarboxylate, ethyl 1-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate, A3081/0130312
| Molecular Formula | C20H23NO5S |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 3.4427 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.1297 |
| Heavy Atoms | 27 |
| Complexity | 857.0049 |
Chemical Identifiers
| CAS Number | 681836-13-5 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3 |
Product Overview
Ethyl 1-[(4-phenoxyphenyl)sulfonyl]-4-piperidinecarboxylate (CAS 681836-13-5), with molecular formula C20H23NO5S and molecular weight 389.13 g/mol. IUPAC: ethyl 1-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-[(4-phenoxyphenyl)sulfonyl]-4-piperidinecarboxylate
Property Insights of Ethyl 1-[(4-phenoxyphenyl)sulfonyl]-4-piperidinecarboxylate
The XLogP value of 3.4427 indicates that Ethyl 1-[(4-phenoxyphenyl)sulfonyl]-4-piperidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-[(4-phenoxyphenyl)sulfonyl]-4-piperidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 1-[(4-phenoxyphenyl)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 Ethyl 1-[(4-phenoxyphenyl)sulfonyl]-4-piperidinecarboxylate?
The CAS number of Ethyl 1-[(4-phenoxyphenyl)sulfonyl]-4-piperidinecarboxylate is 681836-13-5.
What is the molecular formula of Ethyl 1-[(4-phenoxyphenyl)sulfonyl]-4-piperidinecarboxylate?
The molecular formula of Ethyl 1-[(4-phenoxyphenyl)sulfonyl]-4-piperidinecarboxylate is C20H23NO5S.
What is the molecular weight of Ethyl 1-[(4-phenoxyphenyl)sulfonyl]-4-piperidinecarboxylate?
The molecular weight of Ethyl 1-[(4-phenoxyphenyl)sulfonyl]-4-piperidinecarboxylate is 389.13 g/mol.
Where can I buy Ethyl 1-[(4-phenoxyphenyl)sulfonyl]-4-piperidinecarboxylate?
You can request a quote for Ethyl 1-[(4-phenoxyphenyl)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 Ethyl 1-[(4-phenoxyphenyl)sulfonyl]-4-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[(4-phenoxyphenyl)sulfonyl]-4-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.