1,3-Benzothiazol-2-yl-(3,4-dimethoxyphenyl)methanol
TL;DR: 1,3-Benzothiazol-2-yl-(3,4-dimethoxyphenyl)methanol (CAS 120821-93-4) is a chemical compound with molecular formula C16H15NO3S and molecular weight 301.07727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-benzothiazol-2-yl-(3,4-dimethoxyphenyl)methanol
Also Known As: 1,3-benzothiazol-2-yl(3,4-dimethoxyphenyl)methanol, alpha-(3,4-dimethoxyphenyl)-2-benzothiazolemethanol, 1,3-benzothiazol-2-yl-(3,4-dimethoxyphenyl)methanol
Technical Specifications
| Molecular Formula | C16H15NO3S |
| Molecular Weight | 301.07727 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.07727 Da |
| Heavy Atoms | 21 |
| Complexity | 343.0 |
| SMILES | COC1=C(C=C(C=C1)C(C2=NC3=CC=CC=C3S2)O)OC |
| InChIKey | JODCYEQPCARGDW-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Benzothiazol-2-yl-(3,4-dimethoxyphenyl)methanol
Property Insights of 1,3-Benzothiazol-2-yl-(3,4-dimethoxyphenyl)methanol
The XLogP value of 3.2 indicates that 1,3-Benzothiazol-2-yl-(3,4-dimethoxyphenyl)methanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzothiazol-2-yl-(3,4-dimethoxyphenyl)methanol. Following Lipinski's Rule of Five, 1,3-Benzothiazol-2-yl-(3,4-dimethoxyphenyl)methanol has 1 hydrogen bond donor(s) and 5 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-Benzothiazol-2-yl-(3,4-dimethoxyphenyl)methanol?
The CAS number of 1,3-Benzothiazol-2-yl-(3,4-dimethoxyphenyl)methanol is 120821-93-4.
What is the molecular formula of 1,3-Benzothiazol-2-yl-(3,4-dimethoxyphenyl)methanol?
The molecular formula of 1,3-Benzothiazol-2-yl-(3,4-dimethoxyphenyl)methanol is C16H15NO3S.
What is the molecular weight of 1,3-Benzothiazol-2-yl-(3,4-dimethoxyphenyl)methanol?
The molecular weight of 1,3-Benzothiazol-2-yl-(3,4-dimethoxyphenyl)methanol is 301.07727 g/mol.
Where can I buy 1,3-Benzothiazol-2-yl-(3,4-dimethoxyphenyl)methanol?
You can request a quote for 1,3-Benzothiazol-2-yl-(3,4-dimethoxyphenyl)methanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Benzothiazol-2-yl-(3,4-dimethoxyphenyl)methanol?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzothiazol-2-yl-(3,4-dimethoxyphenyl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.