2,3-dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate
TL;DR: 2,3-dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate (CAS 83756-15-4) is a chemical compound with molecular formula C15H15NO4 and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate
Also Known As: Maybridge3_006425, IDI1_017812, J3.270.701G, 2,3-dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate, dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate
| Molecular Formula | C15H15NO4 |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 2.56332 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.1001 |
| Heavy Atoms | 20 |
| Complexity | 643.3932 |
Chemical Identifiers
| CAS Number | 83756-15-4 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC)C(=O)OC)C2=CC=CC=C2 |
Product Overview
2,3-dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate (CAS 83756-15-4), with molecular formula C15H15NO4 and molecular weight 273.10 g/mol. IUPAC: dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate.
Chemical Property Profile of 2,3-dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate
Property Insights of 2,3-dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate
The XLogP value of 2.56332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate. The TPSA of 68.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate. Following Lipinski's Rule of Five, 2,3-dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-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 2,3-dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate?
The CAS number of 2,3-dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate is 83756-15-4.
What is the molecular formula of 2,3-dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate?
The molecular formula of 2,3-dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate is C15H15NO4.
What is the molecular weight of 2,3-dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate?
The molecular weight of 2,3-dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate is 273.10 g/mol.
Where can I buy 2,3-dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate?
You can request a quote for 2,3-dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.