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Ethyl 1-[(2-hydroxyphenyl)thioxomethyl]-3-piperidinecarboxylate
TL;DR: Ethyl 1-[(2-hydroxyphenyl)thioxomethyl]-3-piperidinecarboxylate (CAS 696649-88-4) is a chemical compound with molecular formula C15H19NO3S and molecular weight 293.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2-hydroxybenzenecarbothioyl)piperidine-3-carboxylate
Also Known As: Ethyl 1-[(2-hydroxyphenyl)thioxomethyl]-3-piperidinecarboxylate, A3483/0147767, ethyl 1-[(2-hydroxyphenyl)thioxomethyl]piperidine-3-carboxylate, Ethyl 1-(2-hydroxybenzene-1-carbothioyl)piperidine-3-carboxylate, ethyl 1-[(6-oxocyclohexa-2,4-dien-1-ylidene)-sulfanylmethyl]piperidine-3-carboxylate
| Molecular Formula | C15H19NO3S |
|---|---|
| Molecular Weight | 293.11 g/mol |
| LogP | 2.3428 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.10855 |
| Heavy Atoms | 20 |
| Complexity | 503.6469 |
Chemical Identifiers
| CAS Number | 696649-88-4 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)C(=S)C2=CC=CC=C2O |
Product Overview
Ethyl 1-[(2-hydroxyphenyl)thioxomethyl]-3-piperidinecarboxylate (CAS 696649-88-4), with molecular formula C15H19NO3S and molecular weight 293.11 g/mol. IUPAC: ethyl 1-(2-hydroxybenzenecarbothioyl)piperidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-[(2-hydroxyphenyl)thioxomethyl]-3-piperidinecarboxylate
Property Insights of Ethyl 1-[(2-hydroxyphenyl)thioxomethyl]-3-piperidinecarboxylate
The XLogP value of 2.3428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-[(2-hydroxyphenyl)thioxomethyl]-3-piperidinecarboxylate. With a topological polar surface area (TPSA) of 49.77 Ų, Ethyl 1-[(2-hydroxyphenyl)thioxomethyl]-3-piperidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-[(2-hydroxyphenyl)thioxomethyl]-3-piperidinecarboxylate has 1 hydrogen bond donor(s) and 4 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-[(2-hydroxyphenyl)thioxomethyl]-3-piperidinecarboxylate?
The CAS number of Ethyl 1-[(2-hydroxyphenyl)thioxomethyl]-3-piperidinecarboxylate is 696649-88-4.
What is the molecular formula of Ethyl 1-[(2-hydroxyphenyl)thioxomethyl]-3-piperidinecarboxylate?
The molecular formula of Ethyl 1-[(2-hydroxyphenyl)thioxomethyl]-3-piperidinecarboxylate is C15H19NO3S.
What is the molecular weight of Ethyl 1-[(2-hydroxyphenyl)thioxomethyl]-3-piperidinecarboxylate?
The molecular weight of Ethyl 1-[(2-hydroxyphenyl)thioxomethyl]-3-piperidinecarboxylate is 293.11 g/mol.
Where can I buy Ethyl 1-[(2-hydroxyphenyl)thioxomethyl]-3-piperidinecarboxylate?
You can request a quote for Ethyl 1-[(2-hydroxyphenyl)thioxomethyl]-3-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-[(2-hydroxyphenyl)thioxomethyl]-3-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[(2-hydroxyphenyl)thioxomethyl]-3-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.