4-Oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile
TL;DR: 4-Oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile (CAS 61628-74-8) is a chemical compound with molecular formula C17H19N3OS and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile
Also Known As: 4-oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile, 3-Isopropyl-2-(isopropylimino)-4-oxo-6-phenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile, (2Z)-3-isopropyl-2-isopropylimino-4-oxo-6-phenyl-1,3-thiazine-5-carbonitrile, 2H-1,3-THIAZINE-5-CARBONITRILE, 3,4-DIHYDRO-3-(1-METHYLETHYL)-2-((1-METHYLETHYL)IMINO)-4-OXO-6-PHENYL-
| Molecular Formula | C17H19N3OS |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.12488 |
| Heavy Atoms | 22 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 61628-74-8 |
|---|---|
| SMILES | CC(C)N=C1N(C(=O)C(=C(S1)C2=CC=CC=C2)C#N)C(C)C |
| InChIKey | VIAHYDZVPIIMSJ-UHFFFAOYSA-N |
Product Overview
4-Oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile (CAS 61628-74-8), with molecular formula C17H19N3OS and molecular weight 313.12 g/mol. IUPAC: 4-oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile.
Chemical Property Profile of 4-Oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile
Property Insights of 4-Oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile
The XLogP value of 3.6 indicates that 4-Oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile. Following Lipinski's Rule of Five, 4-Oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-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
Frequently Asked Questions
What is the CAS number of 4-Oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile?
The CAS number of 4-Oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile is 61628-74-8.
What is the molecular formula of 4-Oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile?
The molecular formula of 4-Oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile is C17H19N3OS.
What is the molecular weight of 4-Oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile?
The molecular weight of 4-Oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile is 313.12 g/mol.
Where can I buy 4-Oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile?
You can request a quote for 4-Oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-6-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.