(E)-methyl 5-(3-(4-isopropoxyphenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: (E)-methyl 5-(3-(4-isopropoxyphenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 374698-97-2) is a chemical compound with molecular formula C20H23NO4 and molecular weight 341.16 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-(4-propan-2-yloxyphenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate
Also Known As: (E)-methyl 5-(3-(4-isopropoxyphenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate, methyl 2,4-dimethyl-5-[(E)-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate, methyl 2,4-dimethyl-5-{(2E)-3-[4-(propan-2-yloxy)phenyl]prop-2-enoyl}-1H-pyrrole-3-carboxylate
| Molecular Formula | C20H23NO4 |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 4.10144 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.16272 |
| Heavy Atoms | 25 |
| Complexity | 797.8488 |
Chemical Identifiers
| CAS Number | 374698-97-2 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC)C)C(=O)/C=C/C2=CC=C(C=C2)OC(C)C |
Product Overview
(E)-methyl 5-(3-(4-isopropoxyphenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 374698-97-2), with molecular formula C20H23NO4 and molecular weight 341.16 g/mol. IUPAC: methyl 2,4-dimethyl-5-[(E)-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate.
Chemical Property Profile of (E)-methyl 5-(3-(4-isopropoxyphenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of (E)-methyl 5-(3-(4-isopropoxyphenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 4.10144 indicates that (E)-methyl 5-(3-(4-isopropoxyphenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 5-(3-(4-isopropoxyphenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, (E)-methyl 5-(3-(4-isopropoxyphenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 4 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-(3-(4-isopropoxyphenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of (E)-methyl 5-(3-(4-isopropoxyphenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is 374698-97-2.
What is the molecular formula of (E)-methyl 5-(3-(4-isopropoxyphenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of (E)-methyl 5-(3-(4-isopropoxyphenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is C20H23NO4.
What is the molecular weight of (E)-methyl 5-(3-(4-isopropoxyphenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of (E)-methyl 5-(3-(4-isopropoxyphenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is 341.16 g/mol.
Where can I buy (E)-methyl 5-(3-(4-isopropoxyphenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for (E)-methyl 5-(3-(4-isopropoxyphenyl)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-(3-(4-isopropoxyphenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 5-(3-(4-isopropoxyphenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.