NCIOpen2_006419
TL;DR: NCIOpen2_006419 (CAS 93422-88-9) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1,5-dicarbonitrile
Also Known As: NCIOpen2_006419, Spiro(3-azabicyclo(3.1.0)hexane-6,1'-cyclopentane)-1,5-dicarbonitrile, 3-methyl-2,4-dioxo-, 3,3-Tetramethylen-1,2-dicyan-cyclopropan-1,2-
| Molecular Formula | C12H11N3O2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.08513 |
| Heavy Atoms | 17 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 93422-88-9 |
|---|---|
| SMILES | CN1C(=O)C2(C3(C2(C1=O)C#N)CCCC3)C#N |
| InChIKey | PRKKUDMNXHEZBC-UHFFFAOYSA-N |
Product Overview
NCIOpen2_006419 (CAS 93422-88-9), with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol. IUPAC: 3-methyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1,5-dicarbonitrile.
Chemical Property Profile of NCIOpen2_006419
Property Insights of NCIOpen2_006419
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_006419. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_006419. Following Lipinski's Rule of Five, NCIOpen2_006419 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 NCIOpen2_006419?
The CAS number of NCIOpen2_006419 is 93422-88-9.
What is the molecular formula of NCIOpen2_006419?
The molecular formula of NCIOpen2_006419 is C12H11N3O2.
What is the molecular weight of NCIOpen2_006419?
The molecular weight of NCIOpen2_006419 is 229.09 g/mol.
Where can I buy NCIOpen2_006419?
You can request a quote for NCIOpen2_006419 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_006419?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_006419 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.