dimethyl 2-methyl-1-phenyl-1H-pyrrole-3,4-dicarboxylate
TL;DR: dimethyl 2-methyl-1-phenyl-1H-pyrrole-3,4-dicarboxylate (CAS 13712-65-7) 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 2-methyl-1-phenylpyrrole-3,4-dicarboxylate
Also Known As: dimethyl 2-methyl-1-phenyl-1H-pyrrole-3,4-dicarboxylate, dimethyl 2-methyl-1-phenylpyrrole-3,4-dicarboxylate, AE-842/32538032, AE-842/33003051
| Molecular Formula | C15H15NO4 |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 2.35892 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.1001 |
| Heavy Atoms | 20 |
| Complexity | 643.3932 |
Chemical Identifiers
| CAS Number | 13712-65-7 |
|---|---|
| SMILES | CC1=C(C(=CN1C2=CC=CC=C2)C(=O)OC)C(=O)OC |
Product Overview
dimethyl 2-methyl-1-phenyl-1H-pyrrole-3,4-dicarboxylate (CAS 13712-65-7), with molecular formula C15H15NO4 and molecular weight 273.10 g/mol. IUPAC: dimethyl 2-methyl-1-phenylpyrrole-3,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-methyl-1-phenyl-1H-pyrrole-3,4-dicarboxylate
Property Insights of dimethyl 2-methyl-1-phenyl-1H-pyrrole-3,4-dicarboxylate
The XLogP value of 2.35892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-methyl-1-phenyl-1H-pyrrole-3,4-dicarboxylate. With a topological polar surface area (TPSA) of 57.53 Ų, dimethyl 2-methyl-1-phenyl-1H-pyrrole-3,4-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl 2-methyl-1-phenyl-1H-pyrrole-3,4-dicarboxylate has 0 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-methyl-1-phenyl-1H-pyrrole-3,4-dicarboxylate?
The CAS number of dimethyl 2-methyl-1-phenyl-1H-pyrrole-3,4-dicarboxylate is 13712-65-7.
What is the molecular formula of dimethyl 2-methyl-1-phenyl-1H-pyrrole-3,4-dicarboxylate?
The molecular formula of dimethyl 2-methyl-1-phenyl-1H-pyrrole-3,4-dicarboxylate is C15H15NO4.
What is the molecular weight of dimethyl 2-methyl-1-phenyl-1H-pyrrole-3,4-dicarboxylate?
The molecular weight of dimethyl 2-methyl-1-phenyl-1H-pyrrole-3,4-dicarboxylate is 273.10 g/mol.
Where can I buy dimethyl 2-methyl-1-phenyl-1H-pyrrole-3,4-dicarboxylate?
You can request a quote for dimethyl 2-methyl-1-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-methyl-1-phenyl-1H-pyrrole-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-methyl-1-phenyl-1H-pyrrole-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.