(E)-methyl 2,4-dimethyl-5-(3-(3-nitrophenyl)acryloyl)-1H-pyrrole-3-carboxylate
TL;DR: (E)-methyl 2,4-dimethyl-5-(3-(3-nitrophenyl)acryloyl)-1H-pyrrole-3-carboxylate (CAS 371957-65-2) is a chemical compound with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4-dimethyl-5-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate
Also Known As: (E)-methyl 2,4-dimethyl-5-(3-(3-nitrophenyl)acryloyl)-1H-pyrrole-3-carboxylate, methyl 2,4-dimethyl-5-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate, methyl 2,4-dimethyl-5-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate
| Molecular Formula | C17H16N2O5 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 3.22244 |
| Topological Polar Surface Area | 102.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.10593 |
| Heavy Atoms | 24 |
| Complexity | 848.66095 |
Chemical Identifiers
| CAS Number | 371957-65-2 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC)C)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
(E)-methyl 2,4-dimethyl-5-(3-(3-nitrophenyl)acryloyl)-1H-pyrrole-3-carboxylate (CAS 371957-65-2), with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol. IUPAC: methyl 2,4-dimethyl-5-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate.
Chemical Property Profile of (E)-methyl 2,4-dimethyl-5-(3-(3-nitrophenyl)acryloyl)-1H-pyrrole-3-carboxylate
Property Insights of (E)-methyl 2,4-dimethyl-5-(3-(3-nitrophenyl)acryloyl)-1H-pyrrole-3-carboxylate
The XLogP value of 3.22244 indicates that (E)-methyl 2,4-dimethyl-5-(3-(3-nitrophenyl)acryloyl)-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2,4-dimethyl-5-(3-(3-nitrophenyl)acryloyl)-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, (E)-methyl 2,4-dimethyl-5-(3-(3-nitrophenyl)acryloyl)-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 2,4-dimethyl-5-(3-(3-nitrophenyl)acryloyl)-1H-pyrrole-3-carboxylate?
The CAS number of (E)-methyl 2,4-dimethyl-5-(3-(3-nitrophenyl)acryloyl)-1H-pyrrole-3-carboxylate is 371957-65-2.
What is the molecular formula of (E)-methyl 2,4-dimethyl-5-(3-(3-nitrophenyl)acryloyl)-1H-pyrrole-3-carboxylate?
The molecular formula of (E)-methyl 2,4-dimethyl-5-(3-(3-nitrophenyl)acryloyl)-1H-pyrrole-3-carboxylate is C17H16N2O5.
What is the molecular weight of (E)-methyl 2,4-dimethyl-5-(3-(3-nitrophenyl)acryloyl)-1H-pyrrole-3-carboxylate?
The molecular weight of (E)-methyl 2,4-dimethyl-5-(3-(3-nitrophenyl)acryloyl)-1H-pyrrole-3-carboxylate is 328.11 g/mol.
Where can I buy (E)-methyl 2,4-dimethyl-5-(3-(3-nitrophenyl)acryloyl)-1H-pyrrole-3-carboxylate?
You can request a quote for (E)-methyl 2,4-dimethyl-5-(3-(3-nitrophenyl)acryloyl)-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 2,4-dimethyl-5-(3-(3-nitrophenyl)acryloyl)-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2,4-dimethyl-5-(3-(3-nitrophenyl)acryloyl)-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.