3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate
TL;DR: 3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate (CAS 2818-06-6) is a chemical compound with molecular formula C8H9NO4 and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1H-pyrrole-3,4-dicarboxylate
Also Known As: Dimethyl 1H-pyrrole-3,4-dicarboxylate, 3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate, dimethyl pyrrole-3,4-dicarboxylate, Dimethyl1H-pyrrole-3,4-dicarboxylate, 1H-Pyrrole-3,4-dicarboxylic acid dimethyl ester
| Molecular Formula | C8H9NO4 |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 0.5879 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.05316 |
| Heavy Atoms | 13 |
| Complexity | 298.13995 |
Chemical Identifiers
| CAS Number | 2818-06-6 |
|---|---|
| SMILES | COC(=O)C1=CNC=C1C(=O)OC |
Product Overview
3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate (CAS 2818-06-6), with molecular formula C8H9NO4 and molecular weight 183.05 g/mol. IUPAC: dimethyl 1H-pyrrole-3,4-dicarboxylate.
Chemical Property Profile of 3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate
Property Insights of 3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate
The XLogP value of 0.5879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate. The TPSA of 68.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate. Following Lipinski's Rule of Five, 3,4-dimethyl 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 3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate?
The CAS number of 3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate is 2818-06-6.
What is the molecular formula of 3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate?
The molecular formula of 3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate is C8H9NO4.
What is the molecular weight of 3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate?
The molecular weight of 3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate is 183.05 g/mol.
Where can I buy 3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate?
You can request a quote for 3,4-dimethyl 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 1H-pyrrole-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.