4-(3-hydroxy-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)butanenitrile
TL;DR: 4-(3-hydroxy-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)butanenitrile (CAS 676612-33-2) is a chemical compound with molecular formula C20H17N3O2 and molecular weight 331.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-hydroxy-3-(1H-indol-3-yl)-2-oxoindol-1-yl]butanenitrile
Also Known As: 4-(3-hydroxy-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)butanenitrile, 4-(3-hydroxy-3-indol-3-yl-2-oxoindolinyl)butanenitrile, 4-(3-hydroxy-3-(1H-indol-3-yl)-2-oxoindolin-1-yl)butanenitrile, 4-[3-hydroxy-3-(1H-indol-3-yl)-2-oxoindol-1-yl]butanenitrile
| Molecular Formula | C20H17N3O2 |
|---|---|
| Molecular Weight | 331.13 g/mol |
| LogP | 3.05418 |
| Topological Polar Surface Area | 80.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.13208 |
| Heavy Atoms | 25 |
| Complexity | 1001.34393 |
Chemical Identifiers
| CAS Number | 676612-33-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C3(C4=CC=CC=C4N(C3=O)CCCC#N)O |
Product Overview
4-(3-hydroxy-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)butanenitrile (CAS 676612-33-2), with molecular formula C20H17N3O2 and molecular weight 331.13 g/mol. IUPAC: 4-[3-hydroxy-3-(1H-indol-3-yl)-2-oxoindol-1-yl]butanenitrile.
Chemical Property Profile of 4-(3-hydroxy-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)butanenitrile
Property Insights of 4-(3-hydroxy-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)butanenitrile
The XLogP value of 3.05418 indicates that 4-(3-hydroxy-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)butanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-hydroxy-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)butanenitrile. Following Lipinski's Rule of Five, 4-(3-hydroxy-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)butanenitrile has 2 hydrogen bond donor(s) and 3 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 4-(3-hydroxy-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)butanenitrile?
The CAS number of 4-(3-hydroxy-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)butanenitrile is 676612-33-2.
What is the molecular formula of 4-(3-hydroxy-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)butanenitrile?
The molecular formula of 4-(3-hydroxy-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)butanenitrile is C20H17N3O2.
What is the molecular weight of 4-(3-hydroxy-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)butanenitrile?
The molecular weight of 4-(3-hydroxy-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)butanenitrile is 331.13 g/mol.
Where can I buy 4-(3-hydroxy-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)butanenitrile?
You can request a quote for 4-(3-hydroxy-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-hydroxy-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-hydroxy-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.