![Ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate structure](/static/products/3011/301177-24-2.webp)
Ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate
TL;DR: Ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate (CAS 301177-24-2) is a chemical compound with molecular formula C16H21ClN2O2S and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate
Also Known As: ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate, ethyl 1-[(4-chloro-2-methylanilino)carbothioyl]piperidine-4-carboxylate, ETHYL 1-[(4-CHLORO-2-METHYLANILINO)CARBOTHIOYL]-4-PIPERIDINECARBOXYLATE, ethyl 1-{[(4-chloro-2-methylphenyl)amino]carbonothioyl}-4-piperidinecarboxylate, ethyl 1-{[(4-chloro-2-methylphenyl)amino]carbonothioyl}piperidine-4-carboxylate
| Molecular Formula | C16H21ClN2O2S |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 73.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.10123 |
| Heavy Atoms | 22 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 301177-24-2 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C=C(C=C2)Cl)C |
| InChIKey | ZSDGGKVBLRDUTK-UHFFFAOYSA-N |
Product Overview
Ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate (CAS 301177-24-2), with molecular formula C16H21ClN2O2S and molecular weight 340.10 g/mol. IUPAC: ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate
Property Insights of Ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate
The XLogP value of 3.4 indicates that Ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-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 Ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate?
The CAS number of Ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate is 301177-24-2.
What is the molecular formula of Ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate?
The molecular formula of Ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate is C16H21ClN2O2S.
What is the molecular weight of Ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate?
The molecular weight of Ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate is 340.10 g/mol.
Where can I buy Ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate?
You can request a quote for Ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]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 Ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.