Trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate
TL;DR: Trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate (CAS 82633-33-8) is a chemical compound with molecular formula C15H14BrNO7 and molecular weight 399.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate
Also Known As: trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate, Trimethyl 5-bromo-1-methyl-2-oxo-1,2-dihydro-3H-indole-3,3,4-tricarboxylate
| Molecular Formula | C15H14BrNO7 |
|---|---|
| Molecular Weight | 399.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 99.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.99536 |
| Heavy Atoms | 24 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 82633-33-8 |
|---|---|
| SMILES | CN1C2=C(C(=C(C=C2)Br)C(=O)OC)C(C1=O)(C(=O)OC)C(=O)OC |
| InChIKey | YLTJQHYUJZLUTK-UHFFFAOYSA-N |
Product Overview
Trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate (CAS 82633-33-8), with molecular formula C15H14BrNO7 and molecular weight 399.00 g/mol. IUPAC: trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate.
Chemical Property Profile of Trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate
Property Insights of Trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate. Following Lipinski's Rule of Five, Trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate has 0 hydrogen bond donor(s) and 7 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 Trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate?
The CAS number of Trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate is 82633-33-8.
What is the molecular formula of Trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate?
The molecular formula of Trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate is C15H14BrNO7.
What is the molecular weight of Trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate?
The molecular weight of Trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate is 399.00 g/mol.
Where can I buy Trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate?
You can request a quote for Trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Trimethyl 5-bromo-1-methyl-2-oxoindole-3,3,4-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.