ZERO/004639
TL;DR: ZERO/004639 (CAS 1177821-81-6) is a chemical compound with molecular formula C14H7N5O2 and molecular weight 277.05997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
Also Known As: ZERO/004639, 2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile, 2-imino-2',4-dioxo-1',2'-dihydro-3-azaspiro[bicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile, 2-imino-2',4-dioxo-1',2'-dihydrospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile, 2-imino-2',4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile
Technical Specifications
| Molecular Formula | C14H7N5O2 |
| Molecular Weight | 277.05997 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 277.05997 Da |
| Heavy Atoms | 21 |
| Complexity | 739.0 |
| SMILES | C1=CC=C2C(=C1)C3(C(=O)N2)C4(C3(C(=O)N=C4N)C#N)C#N |
| InChIKey | XLIUPTTVIFPTHW-UHFFFAOYSA-N |
Chemical Property Profile of ZERO/004639
Property Insights of ZERO/004639
The XLogP value of -1.0 indicates that ZERO/004639 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ZERO/004639. Following Lipinski's Rule of Five, ZERO/004639 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 ZERO/004639?
The CAS number of ZERO/004639 is 1177821-81-6.
What is the molecular formula of ZERO/004639?
The molecular formula of ZERO/004639 is C14H7N5O2.
What is the molecular weight of ZERO/004639?
The molecular weight of ZERO/004639 is 277.05997 g/mol.
Where can I buy ZERO/004639?
You can request a quote for ZERO/004639 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ZERO/004639?
Yes, CoreyChem provides custom synthesis services for ZERO/004639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.