5-Bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate
TL;DR: 5-Bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate (CAS 99304-35-5) is a chemical compound with molecular formula C16H18BrNO4 and molecular weight 367.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromo-1-butanoyl-2-oxo-3H-indol-3-yl) butanoate
Also Known As: 5-Bromo-N,O-dibutyryldioxindole, (5-bromo-1-butanoyl-2-oxo-3H-indol-3-yl) butanoate, BUTANOIC ACID, 5-BROMO-2,3-DIHYDRO-2-OXO-1-(1-OXOBUTYL)-1H-INDOL-3-YL ESTER, 5-bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate, RefChem:1072694
| Molecular Formula | C16H18BrNO4 |
|---|---|
| Molecular Weight | 367.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.04193 |
| Heavy Atoms | 22 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 99304-35-5 |
|---|---|
| SMILES | CCCC(=O)N1C2=C(C=C(C=C2)Br)C(C1=O)OC(=O)CCC |
| InChIKey | VKLDRHIHUFBZQW-UHFFFAOYSA-N |
Product Overview
5-Bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate (CAS 99304-35-5), with molecular formula C16H18BrNO4 and molecular weight 367.04 g/mol. IUPAC: (5-bromo-1-butanoyl-2-oxo-3H-indol-3-yl) butanoate.
Chemical Property Profile of 5-Bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate
Property Insights of 5-Bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate
The XLogP value of 3.1 indicates that 5-Bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate. Following Lipinski's Rule of Five, 5-Bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate has 0 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 5-Bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate?
The CAS number of 5-Bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate is 99304-35-5.
What is the molecular formula of 5-Bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate?
The molecular formula of 5-Bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate is C16H18BrNO4.
What is the molecular weight of 5-Bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate?
The molecular weight of 5-Bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate is 367.04 g/mol.
Where can I buy 5-Bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate?
You can request a quote for 5-Bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.