![1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione structure](/static/products/904/904008-66-8.png)
1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione
TL;DR: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione (CAS 904008-66-8) is a chemical compound with molecular formula C16H9ClFNO4 and molecular weight 333.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoroindole-2,3-dione
Also Known As: 1-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-5-fluoroindoline-2,3-dione, 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione, 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoroindole-2,3-dione
| Molecular Formula | C16H9ClFNO4 |
|---|---|
| Molecular Weight | 333.02 g/mol |
| LogP | 2.9373 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.02042 |
| Heavy Atoms | 23 |
| Complexity | 867.399 |
Chemical Identifiers
| CAS Number | 904008-66-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CN3C4=C(C=C(C=C4)F)C(=O)C3=O)Cl |
Product Overview
1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione (CAS 904008-66-8), with molecular formula C16H9ClFNO4 and molecular weight 333.02 g/mol. IUPAC: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoroindole-2,3-dione.
Chemical Property Profile of 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione
Property Insights of 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione
The XLogP value of 2.9373 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione. With a topological polar surface area (TPSA) of 55.84 Ų, 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione 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 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione?
The CAS number of 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione is 904008-66-8.
What is the molecular formula of 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione?
The molecular formula of 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione is C16H9ClFNO4.
What is the molecular weight of 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione?
The molecular weight of 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione is 333.02 g/mol.
Where can I buy 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione?
You can request a quote for 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-fluoro-1H-indole-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.