Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)-
TL;DR: Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)- (CAS 108176-68-7) is a chemical compound with molecular formula C15H12ClN3OS and molecular weight 317.03897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2H-1,4-benzothiazin-3-yl)-3-(4-chlorophenyl)urea
Also Known As: Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)-, N-2H-1,4-Benzothiazin-3-yl-N'-(4-chlorophenyl)urea, 1-(2H-1,4-benzothiazin-3-yl)-3-(4-chlorophenyl)urea, N-(2H-1,4-Benzothiazin-3-yl)-N'-(4-chlorophenyl)urea, BRN 5596840
Technical Specifications
| Molecular Formula | C15H12ClN3OS |
| Molecular Weight | 317.03897 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 78.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.03897 Da |
| Heavy Atoms | 21 |
| Complexity | 410.0 |
| SMILES | C1C(=NC2=CC=CC=C2S1)NC(=O)NC3=CC=C(C=C3)Cl |
| InChIKey | GTHDVMMICKHEBL-UHFFFAOYSA-N |
Chemical Property Profile of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)-
Property Insights of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)-
The XLogP value of 3.3 indicates that Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)-. Following Lipinski's Rule of Five, Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)-?
The CAS number of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)- is 108176-68-7.
What is the molecular formula of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)-?
The molecular formula of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)- is C15H12ClN3OS.
What is the molecular weight of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)-?
The molecular weight of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)- is 317.03897 g/mol.
Where can I buy Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)-?
You can request a quote for Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)-?
Yes, CoreyChem provides custom synthesis services for Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.