![1,1-Dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one structure](/static/products/876/876464-96-9.png)
1,1-Dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one
TL;DR: 1,1-Dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one (CAS 876464-96-9) is a chemical compound with molecular formula C17H17NO3S and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one
Also Known As: 1,1-dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one, 2-{[4-(Propan-2-yl)phenyl]methyl}-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
| Molecular Formula | C17H17NO3S |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 3.1547 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.09293 |
| Heavy Atoms | 22 |
| Complexity | 823.2375 |
Chemical Identifiers
| CAS Number | 876464-96-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
1,1-Dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one (CAS 876464-96-9), with molecular formula C17H17NO3S and molecular weight 315.09 g/mol. IUPAC: 1,1-dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one.
Chemical Property Profile of 1,1-Dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one
Property Insights of 1,1-Dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one
The XLogP value of 3.1547 indicates that 1,1-Dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, 1,1-Dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1-Dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one?
The CAS number of 1,1-Dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one is 876464-96-9.
What is the molecular formula of 1,1-Dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one?
The molecular formula of 1,1-Dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one is C17H17NO3S.
What is the molecular weight of 1,1-Dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one?
The molecular weight of 1,1-Dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one is 315.09 g/mol.
Where can I buy 1,1-Dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one?
You can request a quote for 1,1-Dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dioxo-2-[(4-propan-2-ylphenyl)methyl]-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.