3-(1,3-Benzothiazol-2-yl)-4,5,5-trimethyl-2(5H)-furanone
TL;DR: 3-(1,3-Benzothiazol-2-yl)-4,5,5-trimethyl-2(5H)-furanone (CAS 143837-69-8) is a chemical compound with molecular formula C14H13NO2S and molecular weight 259.0667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzothiazol-2-yl)-4,5,5-trimethylfuran-2-one
Also Known As: 3-Cyclohexene-1-methanol,6-chloro, NCI60_016784, 3-(1,3-Benzothiazol-2-yl)-4,5,5-trimethyl-2(5H)-furanone, AE-641/11516793, 2(5H)-Furanone, 3-(2-benzothiazolyl)-4,5,5-trimethyl-
Technical Specifications
| Molecular Formula | C14H13NO2S |
| Molecular Weight | 259.0667 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.0667 Da |
| Heavy Atoms | 18 |
| Complexity | 416.0 |
| SMILES | CC1=C(C(=O)OC1(C)C)C2=NC3=CC=CC=C3S2 |
| InChIKey | PQZQFLMZTKRGCA-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1,3-Benzothiazol-2-yl)-4,5,5-trimethyl-2(5H)-furanone
Property Insights of 3-(1,3-Benzothiazol-2-yl)-4,5,5-trimethyl-2(5H)-furanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzothiazol-2-yl)-4,5,5-trimethyl-2(5H)-furanone. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzothiazol-2-yl)-4,5,5-trimethyl-2(5H)-furanone. Following Lipinski's Rule of Five, 3-(1,3-Benzothiazol-2-yl)-4,5,5-trimethyl-2(5H)-furanone has 0 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-(1,3-Benzothiazol-2-yl)-4,5,5-trimethyl-2(5H)-furanone?
The CAS number of 3-(1,3-Benzothiazol-2-yl)-4,5,5-trimethyl-2(5H)-furanone is 143837-69-8.
What is the molecular formula of 3-(1,3-Benzothiazol-2-yl)-4,5,5-trimethyl-2(5H)-furanone?
The molecular formula of 3-(1,3-Benzothiazol-2-yl)-4,5,5-trimethyl-2(5H)-furanone is C14H13NO2S.
What is the molecular weight of 3-(1,3-Benzothiazol-2-yl)-4,5,5-trimethyl-2(5H)-furanone?
The molecular weight of 3-(1,3-Benzothiazol-2-yl)-4,5,5-trimethyl-2(5H)-furanone is 259.0667 g/mol.
Where can I buy 3-(1,3-Benzothiazol-2-yl)-4,5,5-trimethyl-2(5H)-furanone?
You can request a quote for 3-(1,3-Benzothiazol-2-yl)-4,5,5-trimethyl-2(5H)-furanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1,3-Benzothiazol-2-yl)-4,5,5-trimethyl-2(5H)-furanone?
Yes, CoreyChem provides custom synthesis services for 3-(1,3-Benzothiazol-2-yl)-4,5,5-trimethyl-2(5H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.