6-Isocyanatoquinoline
TL;DR: 6-Isocyanatoquinoline (CAS 160455-77-6) is a chemical compound with molecular formula C10H6N2O and molecular weight 170.04802 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-isocyanatoquinoline
Also Known As: 6-isocyanatoquinoline, Quinoline,6-isocyanato, Quinoline, 6-isocyanato-, Quinoline,6-isocyanato-, 1-BOC-3-[1-(4-FLUORO-BENZYL)-1H-BENZOIMIDAZOL-2-YLAMINO]-AZETIDINE
Technical Specifications
| Molecular Formula | C10H6N2O |
| Molecular Weight | 170.04802 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.04802 Da |
| Heavy Atoms | 13 |
| Complexity | 223.0 |
| SMILES | C1=CC2=C(C=CC(=C2)N=C=O)N=C1 |
| InChIKey | CERCVSIFSCEXGB-UHFFFAOYSA-N |
Chemical Property Profile of 6-Isocyanatoquinoline
Property Insights of 6-Isocyanatoquinoline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Isocyanatoquinoline. With a topological polar surface area (TPSA) of 42.3 Ų, 6-Isocyanatoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Isocyanatoquinoline 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 6-Isocyanatoquinoline?
The CAS number of 6-Isocyanatoquinoline is 160455-77-6.
What is the molecular formula of 6-Isocyanatoquinoline?
The molecular formula of 6-Isocyanatoquinoline is C10H6N2O.
What is the molecular weight of 6-Isocyanatoquinoline?
The molecular weight of 6-Isocyanatoquinoline is 170.04802 g/mol.
Where can I buy 6-Isocyanatoquinoline?
You can request a quote for 6-Isocyanatoquinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Isocyanatoquinoline?
Yes, CoreyChem provides custom synthesis services for 6-Isocyanatoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.