4-chloro-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile
TL;DR: 4-chloro-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile (CAS 132164-86-4) is a chemical compound with molecular formula C7H6ClN3O2 and molecular weight 199.01485 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-2-(dimethylamino)-6-oxo-1,3-oxazine-5-carbonitrile
Also Known As: 4-chloro-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile, 4-chloro-2-(dimethylamino)-6-oxo-1,3-oxazine-5-carbonitrile, 10E-988, 4-chloro-2-dimethylamino-6-keto-1,3-oxazine-5-carbonitrile, 4-chloro-2-dimethylamino-6-oxo-[1,3]oxazine-5-carbonitrile
Technical Specifications
| Molecular Formula | C7H6ClN3O2 |
| Molecular Weight | 199.01485 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.01485 Da |
| Heavy Atoms | 13 |
| Complexity | 361.0 |
| SMILES | CN(C)C1=NC(=C(C(=O)O1)C#N)Cl |
| InChIKey | VDCBXTAMVFEOSK-UHFFFAOYSA-N |
Chemical Property Profile of 4-chloro-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile
Property Insights of 4-chloro-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile. Following Lipinski's Rule of Five, 4-chloro-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile 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
What is the CAS number of 4-chloro-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile?
The CAS number of 4-chloro-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile is 132164-86-4.
What is the molecular formula of 4-chloro-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile?
The molecular formula of 4-chloro-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile is C7H6ClN3O2.
What is the molecular weight of 4-chloro-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile?
The molecular weight of 4-chloro-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile is 199.01485 g/mol.
Where can I buy 4-chloro-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile?
You can request a quote for 4-chloro-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-chloro-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 4-chloro-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.