1-Methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea
TL;DR: 1-Methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea (CAS 115900-09-9) is a chemical compound with molecular formula C11H13N3O2S and molecular weight 251.07285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea
Also Known As: 1-Methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea, 2-methyl-2-benzyl-1,3-benzodioxole, Urea,N-methoxy-N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-, N-Methoxy-N-methyl-N'-(5-methyl-1,2-benzothiazol-3-yl)urea, 1-methoxy-1-methyl-3-(3-methyl-7-thia-8-azabicyclo[4.3.0]nona-2,4,8,10-tetraen-9-yl)urea
Technical Specifications
| Molecular Formula | C11H13N3O2S |
| Molecular Weight | 251.07285 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 82.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.07285 Da |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
| SMILES | CC1=CC2=C(C=C1)SN=C2NC(=O)N(C)OC |
| InChIKey | PDZVDTQOBWAGLD-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea
Property Insights of 1-Methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea. Following Lipinski's Rule of Five, 1-Methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea has 1 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 1-Methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea?
The CAS number of 1-Methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea is 115900-09-9.
What is the molecular formula of 1-Methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea?
The molecular formula of 1-Methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea is C11H13N3O2S.
What is the molecular weight of 1-Methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea?
The molecular weight of 1-Methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea is 251.07285 g/mol.
Where can I buy 1-Methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea?
You can request a quote for 1-Methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea?
Yes, CoreyChem provides custom synthesis services for 1-Methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.