ethyl 4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
TL;DR: ethyl 4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate (CAS 353269-29-1) is a chemical compound with molecular formula C10H12N2O2S and molecular weight 224.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-thiophen-2-yl-4,5-dihydro-1H-pyrazole-3-carboxylate
Also Known As: ethyl 4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate, AI-942/13331380, ethyl 4-thiophen-2-yl-4,5-dihydro-1H-pyrazole-3-carboxylate
| Molecular Formula | C10H12N2O2S |
|---|---|
| Molecular Weight | 224.06 g/mol |
| LogP | 1.354 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.06195 |
| Heavy Atoms | 15 |
| Complexity | 372.78394 |
Chemical Identifiers
| CAS Number | 353269-29-1 |
|---|---|
| SMILES | CCOC(=O)C1=NNCC1C2=CC=CS2 |
Product Overview
ethyl 4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate (CAS 353269-29-1), with molecular formula C10H12N2O2S and molecular weight 224.06 g/mol. IUPAC: ethyl 4-thiophen-2-yl-4,5-dihydro-1H-pyrazole-3-carboxylate.
Chemical Property Profile of ethyl 4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
Property Insights of ethyl 4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
The XLogP value of 1.354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 50.69 Ų, ethyl 4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate has 1 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 4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate?
The CAS number of ethyl 4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate is 353269-29-1.
What is the molecular formula of ethyl 4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate?
The molecular formula of ethyl 4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate is C10H12N2O2S.
What is the molecular weight of ethyl 4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate?
The molecular weight of ethyl 4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate is 224.06 g/mol.
Where can I buy ethyl 4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate?
You can request a quote for ethyl 4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.