![methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate structure](/static/products/315/315694-22-5.png)
methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 315694-22-5) is a chemical compound with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate, 1H-Pyrrole-3-carboxylic acid, 5-[2-cyano-3-(2-furanyl)-1-oxo-2-propenyl]-2,4-dimethyl-, methyl ester (9CI)
| Molecular Formula | C16H14N2O4 |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 2.80102 |
| Topological Polar Surface Area | 96.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.09537 |
| Heavy Atoms | 22 |
| Complexity | 788.9677 |
Chemical Identifiers
| CAS Number | 315694-22-5 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC)C)C(=O)C(=CC2=CC=CO2)C#N |
Product Overview
methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 315694-22-5), with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol. IUPAC: methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 2.80102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate. The TPSA of 96.09 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-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 methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is 315694-22-5.
What is the molecular formula of methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is C16H14N2O4.
What is the molecular weight of methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is 298.10 g/mol.
Where can I buy methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-[2-cyano-3-(furan-2-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.