1,4-Dithiazin
TL;DR: 1,4-Dithiazin (CAS 7018-61-3) is a chemical compound with molecular formula C28H22Cl2N2O4S and molecular weight 552.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dichlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
Also Known As: 1,4-Dithiazin, 2H-3,11a-Methanocyclopenta[5,6]naphtho[2,1-b]pyran (9CI), 5-(3,4-dichlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione, 5-(3,4-Dichlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)(hydroxy)methylidene]pyrrolidine-2,3-dione
| Molecular Formula | C28H22Cl2N2O4S |
|---|---|
| Molecular Weight | 552.07 g/mol |
| LogP | 7.24494 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 552.06775 |
| Heavy Atoms | 37 |
| Complexity | 1611.2777 |
Chemical Identifiers
| CAS Number | 7018-61-3 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(C=C(C=C4S3)C)C)C5=CC(=C(C=C5)Cl)Cl)O |
Product Overview
1,4-Dithiazin (CAS 7018-61-3), with molecular formula C28H22Cl2N2O4S and molecular weight 552.07 g/mol. IUPAC: 5-(3,4-dichlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of 1,4-Dithiazin
Property Insights of 1,4-Dithiazin
The XLogP value of 7.24494 indicates that 1,4-Dithiazin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dithiazin. Following Lipinski's Rule of Five, 1,4-Dithiazin has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Dithiazin?
The CAS number of 1,4-Dithiazin is 7018-61-3.
What is the molecular formula of 1,4-Dithiazin?
The molecular formula of 1,4-Dithiazin is C28H22Cl2N2O4S.
What is the molecular weight of 1,4-Dithiazin?
The molecular weight of 1,4-Dithiazin is 552.07 g/mol.
Where can I buy 1,4-Dithiazin?
You can request a quote for 1,4-Dithiazin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dithiazin?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dithiazin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.