4H-1,3-Thiazin-5(6H)-one, 4-ethyl-2-(phenylamino)-
TL;DR: 4H-1,3-Thiazin-5(6H)-one, 4-ethyl-2-(phenylamino)- (CAS 76780-34-2) is a chemical compound with molecular formula C12H14N2OS and molecular weight 234.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilino-4-ethyl-4H-1,3-thiazin-5-one
Also Known As: 2-anilino-4-ethyl-4H-1,3-thiazin-5-one, 4H-1,3-Thiazin-5(6H)-one, 4-ethyl-2-(phenylamino)-, 2-Anilino-4-ethyl-4H-1,3-thiazin-5(6H)-one, 2-Anilino-4-ethyl-4H-1,3-thiazin-5(6H)-one #, 5,6-Dihydro-4-ethyl-2-phenylamino-4H-1,3-thiazin-5-one
| Molecular Formula | C12H14N2OS |
|---|---|
| Molecular Weight | 234.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.08269 |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 76780-34-2 |
|---|---|
| SMILES | CCC1C(=O)CSC(=N1)NC2=CC=CC=C2 |
| InChIKey | XWQAEJLQVDPLJH-UHFFFAOYSA-N |
Product Overview
4H-1,3-Thiazin-5(6H)-one, 4-ethyl-2-(phenylamino)- (CAS 76780-34-2), with molecular formula C12H14N2OS and molecular weight 234.08 g/mol. IUPAC: 2-anilino-4-ethyl-4H-1,3-thiazin-5-one.
Chemical Property Profile of 4H-1,3-Thiazin-5(6H)-one, 4-ethyl-2-(phenylamino)-
Property Insights of 4H-1,3-Thiazin-5(6H)-one, 4-ethyl-2-(phenylamino)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,3-Thiazin-5(6H)-one, 4-ethyl-2-(phenylamino)-. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,3-Thiazin-5(6H)-one, 4-ethyl-2-(phenylamino)-. Following Lipinski's Rule of Five, 4H-1,3-Thiazin-5(6H)-one, 4-ethyl-2-(phenylamino)- has 1 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 4H-1,3-Thiazin-5(6H)-one, 4-ethyl-2-(phenylamino)-?
The CAS number of 4H-1,3-Thiazin-5(6H)-one, 4-ethyl-2-(phenylamino)- is 76780-34-2.
What is the molecular formula of 4H-1,3-Thiazin-5(6H)-one, 4-ethyl-2-(phenylamino)-?
The molecular formula of 4H-1,3-Thiazin-5(6H)-one, 4-ethyl-2-(phenylamino)- is C12H14N2OS.
What is the molecular weight of 4H-1,3-Thiazin-5(6H)-one, 4-ethyl-2-(phenylamino)-?
The molecular weight of 4H-1,3-Thiazin-5(6H)-one, 4-ethyl-2-(phenylamino)- is 234.08 g/mol.
Where can I buy 4H-1,3-Thiazin-5(6H)-one, 4-ethyl-2-(phenylamino)-?
You can request a quote for 4H-1,3-Thiazin-5(6H)-one, 4-ethyl-2-(phenylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,3-Thiazin-5(6H)-one, 4-ethyl-2-(phenylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,3-Thiazin-5(6H)-one, 4-ethyl-2-(phenylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.