dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate
TL;DR: dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate (CAS 69640-27-3) is a chemical compound with molecular formula C14H13NO4 and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate
Also Known As: dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate, 3,4-Bis(methoxycarbonyl)-2-phenyl-1H-pyrrole, 3,4-BIS(METHOXYCARBONYL)-2-PHENYLPYRROLE, 2-phenyl-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester, 1H-Pyrrole-3,4-dicarboxylicacid,2-phenyl-,dimethylester
| Molecular Formula | C14H13NO4 |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 2.2549 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.08447 |
| Heavy Atoms | 19 |
| Complexity | 601.16345 |
Chemical Identifiers
| CAS Number | 69640-27-3 |
|---|---|
| SMILES | COC(=O)C1=CNC(=C1C(=O)OC)C2=CC=CC=C2 |
Product Overview
dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate (CAS 69640-27-3), with molecular formula C14H13NO4 and molecular weight 259.08 g/mol. IUPAC: dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate
Property Insights of dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate
The XLogP value of 2.2549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate. The TPSA of 68.39 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate 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 dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate?
The CAS number of dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate is 69640-27-3.
What is the molecular formula of dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate?
The molecular formula of dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate is C14H13NO4.
What is the molecular weight of dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate?
The molecular weight of dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate is 259.08 g/mol.
Where can I buy dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate?
You can request a quote for dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-phenyl-1H-pyrrole-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.