![methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate structure](/static/products/867/867283-38-3.png)
methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate
TL;DR: methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate (CAS 867283-38-3) is a chemical compound with molecular formula C27H22N4O5 and molecular weight 482.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-oxoprop-1-enyl]furan-2-yl]benzoate
Also Known As: methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate, methyl 2-[5-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-oxoprop-1-enyl]furan-2-yl]benzoate
| Molecular Formula | C27H22N4O5 |
|---|---|
| Molecular Weight | 482.16 g/mol |
| LogP | 4.0767 |
| Topological Polar Surface Area | 119.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.15903 |
| Heavy Atoms | 36 |
| Complexity | 1582.3047 |
Chemical Identifiers
| CAS Number | 867283-38-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC=CC=C4C(=O)OC)/C#N |
Product Overview
methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate (CAS 867283-38-3), with molecular formula C27H22N4O5 and molecular weight 482.16 g/mol. IUPAC: methyl 2-[5-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-oxoprop-1-enyl]furan-2-yl]benzoate.
Chemical Property Profile of methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate
Property Insights of methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate
The XLogP value of 4.0767 indicates that methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.26 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate has 1 hydrogen bond donor(s) and 6 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 methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate?
The CAS number of methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate is 867283-38-3.
What is the molecular formula of methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate?
The molecular formula of methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate is C27H22N4O5.
What is the molecular weight of methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate?
The molecular weight of methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate is 482.16 g/mol.
Where can I buy methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate?
You can request a quote for methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(5-{2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]eth-1-en-1-yl}furan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.