NCIOpen2_006657
TL;DR: NCIOpen2_006657 (CAS 96226-12-9) is a chemical compound with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-carboxylic acid
Also Known As: NCIOpen2_006657, 8-Benzyloxy-quinoline-2-carbaldehyde, 5-carbamoyl-2,4-dioxo-3-azaspiro[bicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-carboxylic acid, Spiro(3-azabicyclo(3.1.0)hexane-6,1'-cyclopentane)-1-carboxylic acid, 5-(aminocarbonyl)-2,4-dioxo-, 5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cy
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 96226-12-9 |
|---|---|
| SMILES | C1CCC2(C1)C3(C2(C(=O)NC3=O)C(=O)O)C(=O)N |
| InChIKey | PTDYRQXSLSDVQL-UHFFFAOYSA-N |
Product Overview
NCIOpen2_006657 (CAS 96226-12-9), with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol. IUPAC: 5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-carboxylic acid.
Chemical Property Profile of NCIOpen2_006657
Property Insights of NCIOpen2_006657
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_006657. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_006657. Following Lipinski's Rule of Five, NCIOpen2_006657 has 3 hydrogen bond donor(s) and 5 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_006657?
The CAS number of NCIOpen2_006657 is 96226-12-9.
What is the molecular formula of NCIOpen2_006657?
The molecular formula of NCIOpen2_006657 is C11H12N2O5.
What is the molecular weight of NCIOpen2_006657?
The molecular weight of NCIOpen2_006657 is 252.07 g/mol.
Where can I buy NCIOpen2_006657?
You can request a quote for NCIOpen2_006657 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_006657?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_006657 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.