Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-methoxyphenyl)-
TL;DR: Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-methoxyphenyl)- (CAS 108176-67-6) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.0885 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-methoxyphenyl)urea
Also Known As: 2H-1,4-Benzothiazine,urea deriv., N-2H-1,4-Benzothiazin-3-yl-N'-(4-methoxyphenyl)urea, Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-methoxyphenyl)-, 1-(2H-1,4-benzothiazin-3-yl)-1-(4-methoxyphenyl)urea, 1-(2H-1,4-benzothiazin-3-yl)-3-(4-methoxyphenyl)urea
Technical Specifications
| Molecular Formula | C16H15N3O2S |
| Molecular Weight | 313.0885 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.0885 Da |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
| SMILES | COC1=CC=C(C=C1)NC(=O)NC2=NC3=CC=CC=C3SC2 |
| InChIKey | AMOPVPKHEQWRFL-UHFFFAOYSA-N |
Chemical Property Profile of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-methoxyphenyl)-
Property Insights of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-methoxyphenyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-methoxyphenyl)-. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-methoxyphenyl)-. Following Lipinski's Rule of Five, Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-methoxyphenyl)- has 2 hydrogen bond donor(s) and 4 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-methoxyphenyl)-?
The CAS number of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-methoxyphenyl)- is 108176-67-6.
What is the molecular formula of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-methoxyphenyl)-?
The molecular formula of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-methoxyphenyl)- is C16H15N3O2S.
What is the molecular weight of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-methoxyphenyl)-?
The molecular weight of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-methoxyphenyl)- is 313.0885 g/mol.
Where can I buy Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-methoxyphenyl)-?
You can request a quote for Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-methoxyphenyl)- 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-methoxyphenyl)-?
Yes, CoreyChem provides custom synthesis services for Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-methoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.