1-(3-Methoxy-1,2-benzothiazol-7-yl)-3-phenylurea
TL;DR: 1-(3-Methoxy-1,2-benzothiazol-7-yl)-3-phenylurea (CAS 113539-03-0) is a chemical compound with molecular formula C15H13N3O2S and molecular weight 299.07285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-methoxy-1,2-benzothiazol-7-yl)-3-phenylurea
Also Known As: KST-1A9905, 1-(3-methoxy-1,2-benzothiazol-7-yl)-3-phenylurea, ethyl 1,2-benzothiazol-3-ylcarbamate, Urea, 1-(3-methoxy-1,2-benzothiazol-7-yl)-3-phenyl-, Urea,N-(3-methoxy-1,2-benzisothiazol-7-yl)-N'-phenyl-
Technical Specifications
| Molecular Formula | C15H13N3O2S |
| Molecular Weight | 299.07285 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 91.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.07285 Da |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
| SMILES | COC1=NSC2=C1C=CC=C2NC(=O)NC3=CC=CC=C3 |
| InChIKey | VBXFEJLFBBAXQR-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Methoxy-1,2-benzothiazol-7-yl)-3-phenylurea
Property Insights of 1-(3-Methoxy-1,2-benzothiazol-7-yl)-3-phenylurea
The XLogP value of 3.2 indicates that 1-(3-Methoxy-1,2-benzothiazol-7-yl)-3-phenylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Methoxy-1,2-benzothiazol-7-yl)-3-phenylurea. Following Lipinski's Rule of Five, 1-(3-Methoxy-1,2-benzothiazol-7-yl)-3-phenylurea 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 1-(3-Methoxy-1,2-benzothiazol-7-yl)-3-phenylurea?
The CAS number of 1-(3-Methoxy-1,2-benzothiazol-7-yl)-3-phenylurea is 113539-03-0.
What is the molecular formula of 1-(3-Methoxy-1,2-benzothiazol-7-yl)-3-phenylurea?
The molecular formula of 1-(3-Methoxy-1,2-benzothiazol-7-yl)-3-phenylurea is C15H13N3O2S.
What is the molecular weight of 1-(3-Methoxy-1,2-benzothiazol-7-yl)-3-phenylurea?
The molecular weight of 1-(3-Methoxy-1,2-benzothiazol-7-yl)-3-phenylurea is 299.07285 g/mol.
Where can I buy 1-(3-Methoxy-1,2-benzothiazol-7-yl)-3-phenylurea?
You can request a quote for 1-(3-Methoxy-1,2-benzothiazol-7-yl)-3-phenylurea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Methoxy-1,2-benzothiazol-7-yl)-3-phenylurea?
Yes, CoreyChem provides custom synthesis services for 1-(3-Methoxy-1,2-benzothiazol-7-yl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.