1-Chloro-8-diazooctane-2,7-dione
TL;DR: 1-Chloro-8-diazooctane-2,7-dione (CAS 116486-39-6) is a chemical compound with molecular formula C8H11ClN2O2 and molecular weight 202.0509 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-8-diazooctane-2,7-dione
Also Known As: 1-chloro-8-diazooctane-2,7-dione, 8-chloro-1-diazonio-7-oxooct-1-en-2-olate, (Z)-8-chloro-1-diazonio-7-oxooct-1-en-2-olate
Technical Specifications
| Molecular Formula | C8H11ClN2O2 |
| Molecular Weight | 202.0509 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 36.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 202.0509 Da |
| Heavy Atoms | 13 |
| Complexity | 234.0 |
| SMILES | C(CCC(=O)C=[N+]=[N-])CC(=O)CCl |
| InChIKey | MAOZTBGQBVUKHR-UHFFFAOYSA-N |
Chemical Property Profile of 1-Chloro-8-diazooctane-2,7-dione
Property Insights of 1-Chloro-8-diazooctane-2,7-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-8-diazooctane-2,7-dione. With a topological polar surface area (TPSA) of 36.1 Ų, 1-Chloro-8-diazooctane-2,7-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-8-diazooctane-2,7-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Chloro-8-diazooctane-2,7-dione?
The CAS number of 1-Chloro-8-diazooctane-2,7-dione is 116486-39-6.
What is the molecular formula of 1-Chloro-8-diazooctane-2,7-dione?
The molecular formula of 1-Chloro-8-diazooctane-2,7-dione is C8H11ClN2O2.
What is the molecular weight of 1-Chloro-8-diazooctane-2,7-dione?
The molecular weight of 1-Chloro-8-diazooctane-2,7-dione is 202.0509 g/mol.
Where can I buy 1-Chloro-8-diazooctane-2,7-dione?
You can request a quote for 1-Chloro-8-diazooctane-2,7-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloro-8-diazooctane-2,7-dione?
Yes, CoreyChem provides custom synthesis services for 1-Chloro-8-diazooctane-2,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.