(E)-methyl 5-(2-cyano-3-(4-(difluoromethoxy)phenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: (E)-methyl 5-(2-cyano-3-(4-(difluoromethoxy)phenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 315694-34-9) is a chemical compound with molecular formula C19H16F2N2O4 and molecular weight 374.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: (E)-methyl 5-(2-cyano-3-(4-(difluoromethoxy)phenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate, METHYL 5-[(2E)-2-CYANO-2-{[4-(DIFLUOROMETHOXY)PHENYL]METHYLIDENE}ACETYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE, methyl 5-[(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate, methyl 5-[(E)-2-cyano-3-(p-difluoromethoxyphenyl)acryloyl]-2,4-dimethyl-3-pyrrolecarboxylate, methyl 5-{(2E)-3-[4-(difluoromethoxy)phenyl]-2-cyanoprop-2-enoyl}-2,4-dimethyl pyrrole-3-carboxylate
| Molecular Formula | C19H16F2N2O4 |
|---|---|
| Molecular Weight | 374.11 g/mol |
| LogP | 3.80942 |
| Topological Polar Surface Area | 92.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.10782 |
| Heavy Atoms | 27 |
| Complexity | 937.8546 |
Chemical Identifiers
| CAS Number | 315694-34-9 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC)C)C(=O)/C(=C/C2=CC=C(C=C2)OC(F)F)/C#N |
Product Overview
(E)-methyl 5-(2-cyano-3-(4-(difluoromethoxy)phenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 315694-34-9), with molecular formula C19H16F2N2O4 and molecular weight 374.11 g/mol. IUPAC: methyl 5-[(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of (E)-methyl 5-(2-cyano-3-(4-(difluoromethoxy)phenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of (E)-methyl 5-(2-cyano-3-(4-(difluoromethoxy)phenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 3.80942 indicates that (E)-methyl 5-(2-cyano-3-(4-(difluoromethoxy)phenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.18 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 5-(2-cyano-3-(4-(difluoromethoxy)phenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, (E)-methyl 5-(2-cyano-3-(4-(difluoromethoxy)phenyl)acryloyl)-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 (E)-methyl 5-(2-cyano-3-(4-(difluoromethoxy)phenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of (E)-methyl 5-(2-cyano-3-(4-(difluoromethoxy)phenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is 315694-34-9.
What is the molecular formula of (E)-methyl 5-(2-cyano-3-(4-(difluoromethoxy)phenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of (E)-methyl 5-(2-cyano-3-(4-(difluoromethoxy)phenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is C19H16F2N2O4.
What is the molecular weight of (E)-methyl 5-(2-cyano-3-(4-(difluoromethoxy)phenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of (E)-methyl 5-(2-cyano-3-(4-(difluoromethoxy)phenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is 374.11 g/mol.
Where can I buy (E)-methyl 5-(2-cyano-3-(4-(difluoromethoxy)phenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for (E)-methyl 5-(2-cyano-3-(4-(difluoromethoxy)phenyl)acryloyl)-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 (E)-methyl 5-(2-cyano-3-(4-(difluoromethoxy)phenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 5-(2-cyano-3-(4-(difluoromethoxy)phenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.