![methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate structure](/static/products/116/1164556-45-9.png)
methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 1164556-45-9) is a chemical compound with molecular formula C17H16ClNO3 and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate, methyl 5-[(2E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate, (E)-methyl 5-(3-(3-chlorophenyl)acryloyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate, 5-[(E)-3-(3-Chloro-phenyl)-acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester
| Molecular Formula | C17H16ClNO3 |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 3.96764 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.08188 |
| Heavy Atoms | 22 |
| Complexity | 759.2597 |
Chemical Identifiers
| CAS Number | 1164556-45-9 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC)C)C(=O)/C=C/C2=CC(=CC=C2)Cl |
Product Overview
methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 1164556-45-9), with molecular formula C17H16ClNO3 and molecular weight 317.08 g/mol. IUPAC: methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 3.96764 indicates that methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.16 Ų, methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 3 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-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is 1164556-45-9.
What is the molecular formula of methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is C17H16ClNO3.
What is the molecular weight of methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is 317.08 g/mol.
Where can I buy methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 5-[(E)-3-(3-chlorophenyl)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-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.