3,4-Dimethyl 1-(2-methoxyphenyl)-2-methyl-1H-pyrrole-3,4-dicarboxylate
TL;DR: 3,4-Dimethyl 1-(2-methoxyphenyl)-2-methyl-1H-pyrrole-3,4-dicarboxylate (CAS 618442-07-2) is a chemical compound with molecular formula C16H17NO5 and molecular weight 303.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-(2-methoxyphenyl)-2-methylpyrrole-3,4-dicarboxylate
Also Known As: dimethyl 1-(2-methoxyphenyl)-2-methyl-1H-pyrrole-3,4-dicarboxylate, 3,4-Dimethyl 1-(2-methoxyphenyl)-2-methyl-1H-pyrrole-3,4-dicarboxylate, dimethyl 1-(2-methoxyphenyl)-2-methylpyrrole-3,4-dicarboxylate, Dimethyl 1-(2-methoxyphenyl)-2-methyl-pyrrole-3,4-dicarboxylate, 645-055-7
| Molecular Formula | C16H17NO5 |
|---|---|
| Molecular Weight | 303.11 g/mol |
| LogP | 2.36752 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.1107 |
| Heavy Atoms | 22 |
| Complexity | 717.3214 |
Chemical Identifiers
| CAS Number | 618442-07-2 |
|---|---|
| SMILES | CC1=C(C(=CN1C2=CC=CC=C2OC)C(=O)OC)C(=O)OC |
Product Overview
3,4-Dimethyl 1-(2-methoxyphenyl)-2-methyl-1H-pyrrole-3,4-dicarboxylate (CAS 618442-07-2), with molecular formula C16H17NO5 and molecular weight 303.11 g/mol. IUPAC: dimethyl 1-(2-methoxyphenyl)-2-methylpyrrole-3,4-dicarboxylate.
Chemical Property Profile of 3,4-Dimethyl 1-(2-methoxyphenyl)-2-methyl-1H-pyrrole-3,4-dicarboxylate
Property Insights of 3,4-Dimethyl 1-(2-methoxyphenyl)-2-methyl-1H-pyrrole-3,4-dicarboxylate
The XLogP value of 2.36752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethyl 1-(2-methoxyphenyl)-2-methyl-1H-pyrrole-3,4-dicarboxylate. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dimethyl 1-(2-methoxyphenyl)-2-methyl-1H-pyrrole-3,4-dicarboxylate. Following Lipinski's Rule of Five, 3,4-Dimethyl 1-(2-methoxyphenyl)-2-methyl-1H-pyrrole-3,4-dicarboxylate has 0 hydrogen bond donor(s) and 5 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 3,4-Dimethyl 1-(2-methoxyphenyl)-2-methyl-1H-pyrrole-3,4-dicarboxylate?
The CAS number of 3,4-Dimethyl 1-(2-methoxyphenyl)-2-methyl-1H-pyrrole-3,4-dicarboxylate is 618442-07-2.
What is the molecular formula of 3,4-Dimethyl 1-(2-methoxyphenyl)-2-methyl-1H-pyrrole-3,4-dicarboxylate?
The molecular formula of 3,4-Dimethyl 1-(2-methoxyphenyl)-2-methyl-1H-pyrrole-3,4-dicarboxylate is C16H17NO5.
What is the molecular weight of 3,4-Dimethyl 1-(2-methoxyphenyl)-2-methyl-1H-pyrrole-3,4-dicarboxylate?
The molecular weight of 3,4-Dimethyl 1-(2-methoxyphenyl)-2-methyl-1H-pyrrole-3,4-dicarboxylate is 303.11 g/mol.
Where can I buy 3,4-Dimethyl 1-(2-methoxyphenyl)-2-methyl-1H-pyrrole-3,4-dicarboxylate?
You can request a quote for 3,4-Dimethyl 1-(2-methoxyphenyl)-2-methyl-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 3,4-Dimethyl 1-(2-methoxyphenyl)-2-methyl-1H-pyrrole-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethyl 1-(2-methoxyphenyl)-2-methyl-1H-pyrrole-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.