Diethyl ((5-bromo-1H-indol-3-yl)methylene)malonate
TL;DR: Diethyl ((5-bromo-1H-indol-3-yl)methylene)malonate (CAS 93941-03-8) is a chemical compound with molecular formula C16H16BrNO4 and molecular weight 365.02628 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-[(5-bromo-1H-indol-3-yl)methylidene]propanedioate
Also Known As: 2-Methylnaphtho(2,3-d)oxazole, Diethyl ((5-bromo-1H-indol-3-yl)methylene)malonate, Diethyl 2-((5-bromo-1H-indol-3-yl)methylene)malonate, diethyl-[(5-brom-1h-indol-3-yl)methylen]malonat, diethyl 2-[(5-bromo-1H-indol-3-yl)methylidene]propanedioate
Technical Specifications
| Molecular Formula | C16H16BrNO4 |
| Molecular Weight | 365.02628 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.02628 Da |
| Heavy Atoms | 22 |
| Complexity | 431.0 |
| SMILES | CCOC(=O)C(=CC1=CNC2=C1C=C(C=C2)Br)C(=O)OCC |
| InChIKey | XFWAGGLINZUVII-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl ((5-bromo-1H-indol-3-yl)methylene)malonate
Property Insights of Diethyl ((5-bromo-1H-indol-3-yl)methylene)malonate
The XLogP value of 3.8 indicates that Diethyl ((5-bromo-1H-indol-3-yl)methylene)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl ((5-bromo-1H-indol-3-yl)methylene)malonate. Following Lipinski's Rule of Five, Diethyl ((5-bromo-1H-indol-3-yl)methylene)malonate 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
What is the CAS number of Diethyl ((5-bromo-1H-indol-3-yl)methylene)malonate?
The CAS number of Diethyl ((5-bromo-1H-indol-3-yl)methylene)malonate is 93941-03-8.
What is the molecular formula of Diethyl ((5-bromo-1H-indol-3-yl)methylene)malonate?
The molecular formula of Diethyl ((5-bromo-1H-indol-3-yl)methylene)malonate is C16H16BrNO4.
What is the molecular weight of Diethyl ((5-bromo-1H-indol-3-yl)methylene)malonate?
The molecular weight of Diethyl ((5-bromo-1H-indol-3-yl)methylene)malonate is 365.02628 g/mol.
Where can I buy Diethyl ((5-bromo-1H-indol-3-yl)methylene)malonate?
You can request a quote for Diethyl ((5-bromo-1H-indol-3-yl)methylene)malonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl ((5-bromo-1H-indol-3-yl)methylene)malonate?
Yes, CoreyChem provides custom synthesis services for Diethyl ((5-bromo-1H-indol-3-yl)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.