(E)-methyl 2,4-dimethyl-5-(3-(3,4,5-trimethoxyphenyl)acryloyl)-1H-pyrrole-3-carboxylate
TL;DR: (E)-methyl 2,4-dimethyl-5-(3-(3,4,5-trimethoxyphenyl)acryloyl)-1H-pyrrole-3-carboxylate (CAS 374700-85-3) is a chemical compound with molecular formula C20H23NO6 and molecular weight 373.15 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-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate
Also Known As: (E)-methyl 2,4-dimethyl-5-(3-(3,4,5-trimethoxyphenyl)acryloyl)-1H-pyrrole-3-carboxylate, METHYL 2,4-DIMETHYL-5-[(2E)-3-(3,4,5-TRIMETHOXYPHENYL)PROP-2-ENOYL]-1H-PYRROLE-3-CARBOXYLATE, methyl 2,4-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate
| Molecular Formula | C20H23NO6 |
|---|---|
| Molecular Weight | 373.15 g/mol |
| LogP | 3.34004 |
| Topological Polar Surface Area | 86.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.15253 |
| Heavy Atoms | 27 |
| Complexity | 869.1123 |
Chemical Identifiers
| CAS Number | 374700-85-3 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC)C)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
(E)-methyl 2,4-dimethyl-5-(3-(3,4,5-trimethoxyphenyl)acryloyl)-1H-pyrrole-3-carboxylate (CAS 374700-85-3), with molecular formula C20H23NO6 and molecular weight 373.15 g/mol. IUPAC: methyl 2,4-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate.
Chemical Property Profile of (E)-methyl 2,4-dimethyl-5-(3-(3,4,5-trimethoxyphenyl)acryloyl)-1H-pyrrole-3-carboxylate
Property Insights of (E)-methyl 2,4-dimethyl-5-(3-(3,4,5-trimethoxyphenyl)acryloyl)-1H-pyrrole-3-carboxylate
The XLogP value of 3.34004 indicates that (E)-methyl 2,4-dimethyl-5-(3-(3,4,5-trimethoxyphenyl)acryloyl)-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2,4-dimethyl-5-(3-(3,4,5-trimethoxyphenyl)acryloyl)-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, (E)-methyl 2,4-dimethyl-5-(3-(3,4,5-trimethoxyphenyl)acryloyl)-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 6 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-(3,4,5-trimethoxyphenyl)acryloyl)-1H-pyrrole-3-carboxylate?
The CAS number of (E)-methyl 2,4-dimethyl-5-(3-(3,4,5-trimethoxyphenyl)acryloyl)-1H-pyrrole-3-carboxylate is 374700-85-3.
What is the molecular formula of (E)-methyl 2,4-dimethyl-5-(3-(3,4,5-trimethoxyphenyl)acryloyl)-1H-pyrrole-3-carboxylate?
The molecular formula of (E)-methyl 2,4-dimethyl-5-(3-(3,4,5-trimethoxyphenyl)acryloyl)-1H-pyrrole-3-carboxylate is C20H23NO6.
What is the molecular weight of (E)-methyl 2,4-dimethyl-5-(3-(3,4,5-trimethoxyphenyl)acryloyl)-1H-pyrrole-3-carboxylate?
The molecular weight of (E)-methyl 2,4-dimethyl-5-(3-(3,4,5-trimethoxyphenyl)acryloyl)-1H-pyrrole-3-carboxylate is 373.15 g/mol.
Where can I buy (E)-methyl 2,4-dimethyl-5-(3-(3,4,5-trimethoxyphenyl)acryloyl)-1H-pyrrole-3-carboxylate?
You can request a quote for (E)-methyl 2,4-dimethyl-5-(3-(3,4,5-trimethoxyphenyl)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-(3,4,5-trimethoxyphenyl)acryloyl)-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2,4-dimethyl-5-(3-(3,4,5-trimethoxyphenyl)acryloyl)-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.