KC 399
TL;DR: KC 399 (CAS 152661-13-7) is a chemical compound with molecular formula C14H11F2N3O3S and molecular weight 339.04892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-cyanoethyl)-2,2-difluoro-N-methyl-6-nitrochromene-4-carbothioamide
Also Known As: KC 399, N-(2-cyanoethyl)-2,2-difluoro-N-methyl-6-nitrochromene-4-carbothioamide, 2H-1-Benzopyran-4-carbothioamide, N-(2-cyanoethyl)-2,2-bis(fluoromethyl)-6-nitro-, N-(2-CYANOETHYL)-2,2-BISFLUOROMETHYL-6-NITRO-2H-1-BENZOPYRAN-4-CARBOTH IOAMIDE, N-(2-cyanoethyl)-2,2-bis(fluoromethyl)-6-nitrochromene-4-carbothioamide
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H11F2N3O3S |
| Molecular Weight | 339.04892 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.04892 Da |
| Heavy Atoms | 23 |
| Complexity | 582.0 |
| SMILES | CN(CCC#N)C(=S)C1=CC(OC2=C1C=C(C=C2)[N+](=O)[O-])(F)F |
| InChIKey | PTRMOUZMKNYCQY-UHFFFAOYSA-N |
Chemical Property Profile of KC 399
Property Insights of KC 399
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KC 399. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KC 399. Following Lipinski's Rule of Five, KC 399 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of KC 399?
The CAS number of KC 399 is 152661-13-7.
What is the molecular formula of KC 399?
The molecular formula of KC 399 is C14H11F2N3O3S.
What is the molecular weight of KC 399?
The molecular weight of KC 399 is 339.04892 g/mol.
Where can I buy KC 399?
You can request a quote for KC 399 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for KC 399?
Yes, CoreyChem provides custom synthesis services for KC 399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.