Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate
TL;DR: Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate (CAS 127572-59-2) is a chemical compound with molecular formula C15H17NO4 and molecular weight 275.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate
Also Known As: Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate, NCI60_021647, 1H-Pyrrole-2-carboxylic acid, 4-(3,4-dimethoxyphenyl)-, ethyl ester, 4-(3,4-Dimethoxyphenyl)-1H-pyrrole-2-carboxylic acid ethyl ester
| Molecular Formula | C15H17NO4 |
|---|---|
| Molecular Weight | 275.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.11575 |
| Heavy Atoms | 20 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 127572-59-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CN1)C2=CC(=C(C=C2)OC)OC |
| InChIKey | BXMIPSHBHFUGJK-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate (CAS 127572-59-2), with molecular formula C15H17NO4 and molecular weight 275.12 g/mol. IUPAC: ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate
Property Insights of Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-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 Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate?
The CAS number of Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate is 127572-59-2.
What is the molecular formula of Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate?
The molecular formula of Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate is C15H17NO4.
What is the molecular weight of Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate?
The molecular weight of Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate is 275.12 g/mol.
Where can I buy Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate?
You can request a quote for Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.