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Ethyl 1-[3,5-bis(ethoxycarbonyl)phenyl]-4-hydroxypyrazole-3-carboxylate
TL;DR: Ethyl 1-[3,5-bis(ethoxycarbonyl)phenyl]-4-hydroxypyrazole-3-carboxylate (CAS 379250-18-7) is a chemical compound with molecular formula C18H20N2O7 and molecular weight 376.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate
Also Known As: ethyl 1-[3,5-bis(ethoxycarbonyl)phenyl]-4-hydroxypyrazole-3-carboxylate
| Molecular Formula | C18H20N2O7 |
|---|---|
| Molecular Weight | 376.13 g/mol |
| LogP | 2.108 |
| Topological Polar Surface Area | 116.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.12704 |
| Heavy Atoms | 27 |
| Complexity | 821.1402 |
Chemical Identifiers
| CAS Number | 379250-18-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC(=C1)N2C=C(C(=N2)C(=O)OCC)O)C(=O)OCC |
Product Overview
Ethyl 1-[3,5-bis(ethoxycarbonyl)phenyl]-4-hydroxypyrazole-3-carboxylate (CAS 379250-18-7), with molecular formula C18H20N2O7 and molecular weight 376.13 g/mol. IUPAC: diethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate.
Chemical Property Profile of Ethyl 1-[3,5-bis(ethoxycarbonyl)phenyl]-4-hydroxypyrazole-3-carboxylate
Property Insights of Ethyl 1-[3,5-bis(ethoxycarbonyl)phenyl]-4-hydroxypyrazole-3-carboxylate
The XLogP value of 2.108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-[3,5-bis(ethoxycarbonyl)phenyl]-4-hydroxypyrazole-3-carboxylate. The TPSA of 116.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-[3,5-bis(ethoxycarbonyl)phenyl]-4-hydroxypyrazole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-[3,5-bis(ethoxycarbonyl)phenyl]-4-hydroxypyrazole-3-carboxylate has 1 hydrogen bond donor(s) and 8 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-[3,5-bis(ethoxycarbonyl)phenyl]-4-hydroxypyrazole-3-carboxylate?
The CAS number of Ethyl 1-[3,5-bis(ethoxycarbonyl)phenyl]-4-hydroxypyrazole-3-carboxylate is 379250-18-7.
What is the molecular formula of Ethyl 1-[3,5-bis(ethoxycarbonyl)phenyl]-4-hydroxypyrazole-3-carboxylate?
The molecular formula of Ethyl 1-[3,5-bis(ethoxycarbonyl)phenyl]-4-hydroxypyrazole-3-carboxylate is C18H20N2O7.
What is the molecular weight of Ethyl 1-[3,5-bis(ethoxycarbonyl)phenyl]-4-hydroxypyrazole-3-carboxylate?
The molecular weight of Ethyl 1-[3,5-bis(ethoxycarbonyl)phenyl]-4-hydroxypyrazole-3-carboxylate is 376.13 g/mol.
Where can I buy Ethyl 1-[3,5-bis(ethoxycarbonyl)phenyl]-4-hydroxypyrazole-3-carboxylate?
You can request a quote for Ethyl 1-[3,5-bis(ethoxycarbonyl)phenyl]-4-hydroxypyrazole-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 1-[3,5-bis(ethoxycarbonyl)phenyl]-4-hydroxypyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[3,5-bis(ethoxycarbonyl)phenyl]-4-hydroxypyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.