2-Benzyl 4-tert-butyl 3,5-dimethyl-2,4-pyrroledicarboxylate
TL;DR: 2-Benzyl 4-tert-butyl 3,5-dimethyl-2,4-pyrroledicarboxylate (CAS 69912-08-9) is a chemical compound with molecular formula C19H23NO4 and molecular weight 329.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-benzyl 4-O-tert-butyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: 2-benzyl 4-tert-butyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate, J1.201.574G, 2-benzyl 4-(tert-butyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate, 2-BENZYL 4-TERT-BUTYL 3,5-DIMETHYL-2,4-PYRROLEDICARBOXYLATE, 3,5-DIMETHYLPYRROLE-2,4-DICARBOXYLICACID2-BENZYLESTER4-T-BUTYLESTER
| Molecular Formula | C19H23NO4 |
|---|---|
| Molecular Weight | 329.16 g/mol |
| LogP | 3.94384 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.16272 |
| Heavy Atoms | 24 |
| Complexity | 738.7175 |
Chemical Identifiers
| CAS Number | 69912-08-9 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC(C)(C)C)C)C(=O)OCC2=CC=CC=C2 |
Product Overview
2-Benzyl 4-tert-butyl 3,5-dimethyl-2,4-pyrroledicarboxylate (CAS 69912-08-9), with molecular formula C19H23NO4 and molecular weight 329.16 g/mol. IUPAC: 2-O-benzyl 4-O-tert-butyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of 2-Benzyl 4-tert-butyl 3,5-dimethyl-2,4-pyrroledicarboxylate
Property Insights of 2-Benzyl 4-tert-butyl 3,5-dimethyl-2,4-pyrroledicarboxylate
The XLogP value of 3.94384 indicates that 2-Benzyl 4-tert-butyl 3,5-dimethyl-2,4-pyrroledicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzyl 4-tert-butyl 3,5-dimethyl-2,4-pyrroledicarboxylate. Following Lipinski's Rule of Five, 2-Benzyl 4-tert-butyl 3,5-dimethyl-2,4-pyrroledicarboxylate 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 2-Benzyl 4-tert-butyl 3,5-dimethyl-2,4-pyrroledicarboxylate?
The CAS number of 2-Benzyl 4-tert-butyl 3,5-dimethyl-2,4-pyrroledicarboxylate is 69912-08-9.
What is the molecular formula of 2-Benzyl 4-tert-butyl 3,5-dimethyl-2,4-pyrroledicarboxylate?
The molecular formula of 2-Benzyl 4-tert-butyl 3,5-dimethyl-2,4-pyrroledicarboxylate is C19H23NO4.
What is the molecular weight of 2-Benzyl 4-tert-butyl 3,5-dimethyl-2,4-pyrroledicarboxylate?
The molecular weight of 2-Benzyl 4-tert-butyl 3,5-dimethyl-2,4-pyrroledicarboxylate is 329.16 g/mol.
Where can I buy 2-Benzyl 4-tert-butyl 3,5-dimethyl-2,4-pyrroledicarboxylate?
You can request a quote for 2-Benzyl 4-tert-butyl 3,5-dimethyl-2,4-pyrroledicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl 4-tert-butyl 3,5-dimethyl-2,4-pyrroledicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl 4-tert-butyl 3,5-dimethyl-2,4-pyrroledicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.