3-(1-Hexynyl)-3-hydroxy-5-nitro-2-indolinone
TL;DR: 3-(1-Hexynyl)-3-hydroxy-5-nitro-2-indolinone (CAS 149916-74-5) is a chemical compound with molecular formula C14H14N2O4 and molecular weight 274.09537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hex-1-ynyl-3-hydroxy-5-nitro-1H-indol-2-one
Also Known As: 3-Hhni, 3-(1-Hexynyl)-3-hydroxy-5-nitro-2-indolinone, 3-hex-1-ynyl-3-hydroxy-5-nitro-1H-indol-2-one, 3-(Hex-1-yn-1-yl)-5-nitro-3H-indole-2,3-diol, 2H-Indol-2-one, 3-(1-hexynyl)-1,3-dihydro-3-hydroxy-5-nitro-
Technical Specifications
| Molecular Formula | C14H14N2O4 |
| Molecular Weight | 274.09537 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.09537 Da |
| Heavy Atoms | 20 |
| Complexity | 473.0 |
| SMILES | CCCCC#CC1(C2=C(C=CC(=C2)[N+](=O)[O-])NC1=O)O |
| InChIKey | XTBVUYWNYGORBR-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1-Hexynyl)-3-hydroxy-5-nitro-2-indolinone
Property Insights of 3-(1-Hexynyl)-3-hydroxy-5-nitro-2-indolinone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Hexynyl)-3-hydroxy-5-nitro-2-indolinone. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-Hexynyl)-3-hydroxy-5-nitro-2-indolinone. Following Lipinski's Rule of Five, 3-(1-Hexynyl)-3-hydroxy-5-nitro-2-indolinone 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
What is the CAS number of 3-(1-Hexynyl)-3-hydroxy-5-nitro-2-indolinone?
The CAS number of 3-(1-Hexynyl)-3-hydroxy-5-nitro-2-indolinone is 149916-74-5.
What is the molecular formula of 3-(1-Hexynyl)-3-hydroxy-5-nitro-2-indolinone?
The molecular formula of 3-(1-Hexynyl)-3-hydroxy-5-nitro-2-indolinone is C14H14N2O4.
What is the molecular weight of 3-(1-Hexynyl)-3-hydroxy-5-nitro-2-indolinone?
The molecular weight of 3-(1-Hexynyl)-3-hydroxy-5-nitro-2-indolinone is 274.09537 g/mol.
Where can I buy 3-(1-Hexynyl)-3-hydroxy-5-nitro-2-indolinone?
You can request a quote for 3-(1-Hexynyl)-3-hydroxy-5-nitro-2-indolinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1-Hexynyl)-3-hydroxy-5-nitro-2-indolinone?
Yes, CoreyChem provides custom synthesis services for 3-(1-Hexynyl)-3-hydroxy-5-nitro-2-indolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.