5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one
TL;DR: 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one (CAS 313702-91-9) is a chemical compound with molecular formula C15H16BrNO4 and molecular weight 353.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one
Also Known As: DivK1c_004901, CDS1_003861, BIM-0017309.P001, AN-512/12673315, 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one
| Molecular Formula | C15H16BrNO4 |
|---|---|
| Molecular Weight | 353.03 g/mol |
| LogP | 1.973 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 353.02628 |
| Heavy Atoms | 21 |
| Complexity | 642.56085 |
Chemical Identifiers
| CAS Number | 313702-91-9 |
|---|---|
| SMILES | CC1(CC(=O)C(CO1)C2(C3=C(C=CC(=C3)Br)NC2=O)O)C |
Product Overview
5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one (CAS 313702-91-9), with molecular formula C15H16BrNO4 and molecular weight 353.03 g/mol. IUPAC: 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one.
Chemical Property Profile of 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one
Property Insights of 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one
The XLogP value of 1.973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one. Following Lipinski's Rule of Five, 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one has 2 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-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one?
The CAS number of 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one is 313702-91-9.
What is the molecular formula of 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one?
The molecular formula of 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one is C15H16BrNO4.
What is the molecular weight of 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one?
The molecular weight of 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one is 353.03 g/mol.
Where can I buy 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one?
You can request a quote for 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxy-1H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.