![3-[2-(4-Chlorophenoxy)acetyl]-1,3-benzothiazol-2-one structure](/static/products/1209/120914-19-4.webp)
3-[2-(4-Chlorophenoxy)acetyl]-1,3-benzothiazol-2-one
TL;DR: 3-[2-(4-Chlorophenoxy)acetyl]-1,3-benzothiazol-2-one (CAS 120914-19-4) is a chemical compound with molecular formula C15H10ClNO3S and molecular weight 319.007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(4-chlorophenoxy)acetyl]-1,3-benzothiazol-2-one
Also Known As: Indan-5-yl isocyanate, 3-[2-(4-chlorophenoxy)acetyl]-1,3-benzothiazol-2-one, 3-[(4-chlorophenoxy)acetyl]-1,3-benzothiazol-2(3H)-one, AJ-078/37147003, 2(3H)-Benzothiazolone, 3-[(4-chlorophenoxy)acetyl]- (en)
Technical Specifications
| Molecular Formula | C15H10ClNO3S |
| Molecular Weight | 319.007 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.007 Da |
| Heavy Atoms | 21 |
| Complexity | 412.0 |
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)C(=O)COC3=CC=C(C=C3)Cl |
| InChIKey | PHKZIWIWTNIDLG-UHFFFAOYSA-N |
Chemical Property Profile of 3-[2-(4-Chlorophenoxy)acetyl]-1,3-benzothiazol-2-one
Property Insights of 3-[2-(4-Chlorophenoxy)acetyl]-1,3-benzothiazol-2-one
The XLogP value of 4.0 indicates that 3-[2-(4-Chlorophenoxy)acetyl]-1,3-benzothiazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(4-Chlorophenoxy)acetyl]-1,3-benzothiazol-2-one. Following Lipinski's Rule of Five, 3-[2-(4-Chlorophenoxy)acetyl]-1,3-benzothiazol-2-one 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-[2-(4-Chlorophenoxy)acetyl]-1,3-benzothiazol-2-one?
The CAS number of 3-[2-(4-Chlorophenoxy)acetyl]-1,3-benzothiazol-2-one is 120914-19-4.
What is the molecular formula of 3-[2-(4-Chlorophenoxy)acetyl]-1,3-benzothiazol-2-one?
The molecular formula of 3-[2-(4-Chlorophenoxy)acetyl]-1,3-benzothiazol-2-one is C15H10ClNO3S.
What is the molecular weight of 3-[2-(4-Chlorophenoxy)acetyl]-1,3-benzothiazol-2-one?
The molecular weight of 3-[2-(4-Chlorophenoxy)acetyl]-1,3-benzothiazol-2-one is 319.007 g/mol.
Where can I buy 3-[2-(4-Chlorophenoxy)acetyl]-1,3-benzothiazol-2-one?
You can request a quote for 3-[2-(4-Chlorophenoxy)acetyl]-1,3-benzothiazol-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[2-(4-Chlorophenoxy)acetyl]-1,3-benzothiazol-2-one?
Yes, CoreyChem provides custom synthesis services for 3-[2-(4-Chlorophenoxy)acetyl]-1,3-benzothiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.