3-(3-Methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea
TL;DR: 3-(3-Methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea (CAS 113527-46-1) 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.
3-(3-methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea
Also Known As: 3-(3-methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea, Urea, 3-(3-methoxy-1,2-benzothiazol-5-yl)-1,1-dimethyl-, Urea,N'-(3-methoxy-1,2-benzisothiazol-5-yl)-N,N-dimethyl-, Urea,N'-1,2-benzisothiazol-3-yl-N-methoxy-N-methyl, Urea, N'-(3-methoxy-1,2-benzisothiazol-5-yl)-N,N-dimethyl-
Technical Specifications
| Molecular Formula | C11H13N3O2S |
| Molecular Weight | 251.07285 g/mol |
| XLogP | 1.8 |
| 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 | 288.0 |
| SMILES | CN(C)C(=O)NC1=CC2=C(C=C1)SN=C2OC |
| InChIKey | VFNLETIGWQVGQV-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea
Property Insights of 3-(3-Methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea. Following Lipinski's Rule of Five, 3-(3-Methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea 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 3-(3-Methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea?
The CAS number of 3-(3-Methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea is 113527-46-1.
What is the molecular formula of 3-(3-Methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea?
The molecular formula of 3-(3-Methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea is C11H13N3O2S.
What is the molecular weight of 3-(3-Methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea?
The molecular weight of 3-(3-Methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea is 251.07285 g/mol.
Where can I buy 3-(3-Methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea?
You can request a quote for 3-(3-Methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-Methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea?
Yes, CoreyChem provides custom synthesis services for 3-(3-Methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.