3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
TL;DR: 3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile (CAS 61628-72-6) is a chemical compound with molecular formula C20H18N2OS and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-2,6-diphenyl-3-propan-2-yl-2H-1,3-thiazine-5-carbonitrile
Also Known As: 3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile, 4-oxo-2,6-diphenyl-3-propan-2-yl-2H-1,3-thiazine-5-carbonitrile, 3-isopropyl-4-oxo-2,6-diphenyl-2H-1,3-thiazine-5-carbonitrile, 4-oxo-2,6-diphenyl-3-propan-2-yl-2H-1,3-thiazine-5-carbonitr
| Molecular Formula | C20H18N2OS |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.11398 |
| Heavy Atoms | 24 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 61628-72-6 |
|---|---|
| SMILES | CC(C)N1C(SC(=C(C1=O)C#N)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | KXHDZZULGULEBK-UHFFFAOYSA-N |
Product Overview
3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile (CAS 61628-72-6), with molecular formula C20H18N2OS and molecular weight 334.11 g/mol. IUPAC: 4-oxo-2,6-diphenyl-3-propan-2-yl-2H-1,3-thiazine-5-carbonitrile.
Chemical Property Profile of 3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
Property Insights of 3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
The XLogP value of 4.2 indicates that 3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile. Following Lipinski's Rule of Five, 3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile 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
Frequently Asked Questions
What is the CAS number of 3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile?
The CAS number of 3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile is 61628-72-6.
What is the molecular formula of 3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile?
The molecular formula of 3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile is C20H18N2OS.
What is the molecular weight of 3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile?
The molecular weight of 3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile is 334.11 g/mol.
Where can I buy 3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile?
You can request a quote for 3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-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 3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropyl-4-oxo-2,6-diphenyl-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.