Methyl 5-(2-cyano-3-pyridin-3-yl-prop-2-enoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: Methyl 5-(2-cyano-3-pyridin-3-yl-prop-2-enoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 315696-96-9) is a chemical compound with molecular formula C17H15N3O3 and molecular weight 309.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(2-cyano-3-pyridin-3-ylprop-2-enoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: Methyl 5-(2-cyano-3-pyridin-3-yl-prop-2-enoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate, methyl 5-(2-cyano-3-pyridin-3-ylprop-2-enoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate, 1H-Pyrrole-3-carboxylic acid, 5-[2-cyano-1-oxo-3-(3-pyridinyl)-2-propenyl]-2,4-dimethyl-, methyl ester (9CI)
| Molecular Formula | C17H15N3O3 |
|---|---|
| Molecular Weight | 309.11 g/mol |
| LogP | 2.60302 |
| Topological Polar Surface Area | 95.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.11133 |
| Heavy Atoms | 23 |
| Complexity | 826.7587 |
Chemical Identifiers
| CAS Number | 315696-96-9 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC)C)C(=O)C(=CC2=CN=CC=C2)C#N |
Product Overview
Methyl 5-(2-cyano-3-pyridin-3-yl-prop-2-enoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 315696-96-9), with molecular formula C17H15N3O3 and molecular weight 309.11 g/mol. IUPAC: methyl 5-(2-cyano-3-pyridin-3-ylprop-2-enoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of Methyl 5-(2-cyano-3-pyridin-3-yl-prop-2-enoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of Methyl 5-(2-cyano-3-pyridin-3-yl-prop-2-enoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 2.60302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(2-cyano-3-pyridin-3-yl-prop-2-enoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate. The TPSA of 95.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(2-cyano-3-pyridin-3-yl-prop-2-enoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, Methyl 5-(2-cyano-3-pyridin-3-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-pyridin-3-yl-prop-2-enoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of Methyl 5-(2-cyano-3-pyridin-3-yl-prop-2-enoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is 315696-96-9.
What is the molecular formula of Methyl 5-(2-cyano-3-pyridin-3-yl-prop-2-enoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of Methyl 5-(2-cyano-3-pyridin-3-yl-prop-2-enoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is C17H15N3O3.
What is the molecular weight of Methyl 5-(2-cyano-3-pyridin-3-yl-prop-2-enoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of Methyl 5-(2-cyano-3-pyridin-3-yl-prop-2-enoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is 309.11 g/mol.
Where can I buy Methyl 5-(2-cyano-3-pyridin-3-yl-prop-2-enoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for Methyl 5-(2-cyano-3-pyridin-3-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-pyridin-3-yl-prop-2-enoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(2-cyano-3-pyridin-3-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.