7-Anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carbonitrile
TL;DR: 7-Anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carbonitrile (CAS 165824-80-6) is a chemical compound with molecular formula C22H20N4OS and molecular weight 388.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-anilino-5-morpholin-4-yl-3-phenyl-1,4-thiazepine-6-carbonitrile
Also Known As: Bionet1_003377, 7-anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carbonitrile, 5-(morpholin-4-yl)-3-phenyl-7-(phenylamino)-1,4-thiazepine-6-carbonitrile, 6K-927, 7-anilino-5-morpholin-4-yl-3-phenyl-1,4-thiazepine-6-carbonitrile
Technical Specifications
| Molecular Formula | C22H20N4OS |
| Molecular Weight | 388.13577 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 86.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.13577 Da |
| Heavy Atoms | 28 |
| Complexity | 687.0 |
| SMILES | C1COCCN1C2=NC(=CSC(=C2C#N)NC3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | OSDQQPDXBLQBSP-UHFFFAOYSA-N |
Chemical Property Profile of 7-Anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carbonitrile
Property Insights of 7-Anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carbonitrile
The XLogP value of 3.8 indicates that 7-Anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carbonitrile. Following Lipinski's Rule of Five, 7-Anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-Anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carbonitrile?
The CAS number of 7-Anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carbonitrile is 165824-80-6.
What is the molecular formula of 7-Anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carbonitrile?
The molecular formula of 7-Anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carbonitrile is C22H20N4OS.
What is the molecular weight of 7-Anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carbonitrile?
The molecular weight of 7-Anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carbonitrile is 388.13577 g/mol.
Where can I buy 7-Anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carbonitrile?
You can request a quote for 7-Anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 7-Anilino-5-morpholino-3-phenyl-1,4-thiazepine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.