2,5-Dimethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate
TL;DR: 2,5-Dimethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate (CAS 148528-45-4) is a chemical compound with molecular formula C15H15NO6 and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate
Also Known As: 2,5-DIMETHYL 1-BENZYL-3,4-DIHYDROXY-1H-PYRROLE-2,5-DICARBOXYLATE, dimethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate, C-2036, Dimethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate, Dimethyl 1-benzyl-3,4-dihydroxy-pyrrole-2,5-dicarboxylate
| Molecular Formula | C15H15NO6 |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | 1.5208 |
| Topological Polar Surface Area | 97.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.08994 |
| Heavy Atoms | 22 |
| Complexity | 665.06793 |
Chemical Identifiers
| CAS Number | 148528-45-4 |
|---|---|
| SMILES | COC(=O)C1=C(C(=C(N1CC2=CC=CC=C2)C(=O)OC)O)O |
Product Overview
2,5-Dimethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate (CAS 148528-45-4), with molecular formula C15H15NO6 and molecular weight 305.09 g/mol. IUPAC: dimethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate.
Chemical Property Profile of 2,5-Dimethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate
Property Insights of 2,5-Dimethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate
The XLogP value of 1.5208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate. The TPSA of 97.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dimethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate. Following Lipinski's Rule of Five, 2,5-Dimethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate has 2 hydrogen bond donor(s) and 6 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 2,5-Dimethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate?
The CAS number of 2,5-Dimethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate is 148528-45-4.
What is the molecular formula of 2,5-Dimethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate?
The molecular formula of 2,5-Dimethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate is C15H15NO6.
What is the molecular weight of 2,5-Dimethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate?
The molecular weight of 2,5-Dimethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate is 305.09 g/mol.
Where can I buy 2,5-Dimethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate?
You can request a quote for 2,5-Dimethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.