3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
TL;DR: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CAS 5434-29-7) is a chemical compound with molecular formula C8H7NO4-2 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate, 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid, 617-915-1, RefChem:486956
| Molecular Formula | C8H7NO4-2 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | -1.64146 |
| Topological Polar Surface Area | 96.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 377.7409 |
Chemical Identifiers
| CAS Number | 5434-29-7 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)[O-])C)C(=O)[O-] |
Product Overview
3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CAS 5434-29-7), with molecular formula C8H7NO4-2 and molecular weight 181.04 g/mol. IUPAC: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Property Insights of 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
The XLogP value of -1.64146 indicates that 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate. Following Lipinski's Rule of Five, 3,5-dimethyl-1H-pyrrole-2,4-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 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The CAS number of 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is 5434-29-7.
What is the molecular formula of 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The molecular formula of 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is C8H7NO4-2.
What is the molecular weight of 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The molecular weight of 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is 181.04 g/mol.
Where can I buy 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
You can request a quote for 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.