2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one
TL;DR: 2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one (CAS 2514-30-9) is a chemical compound with molecular formula C14H11NOS and molecular weight 241.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-1,2-benzothiazol-3-one
Also Known As: PBIT, 2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one, 2-(p-Tolyl)benzo[d]isothiazol-3(2H)-one, PBIT?, ChemDiv3_007090
| Molecular Formula | C14H11NOS |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | 3.36062 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.05614 |
| Heavy Atoms | 17 |
| Complexity | 721.8121 |
Chemical Identifiers
| CAS Number | 2514-30-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2 |
Product Overview
2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one (CAS 2514-30-9), with molecular formula C14H11NOS and molecular weight 241.06 g/mol. IUPAC: 2-(4-methylphenyl)-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one
Property Insights of 2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one
The XLogP value of 3.36062 indicates that 2-(4-Methylphenyl)-2,3-dihydro-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 22.0 Ų, 2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one has 0 hydrogen bond donor(s) and 2 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 2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one?
The CAS number of 2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one is 2514-30-9.
What is the molecular formula of 2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one?
The molecular formula of 2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one is C14H11NOS.
What is the molecular weight of 2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one?
The molecular weight of 2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one is 241.06 g/mol.
Where can I buy 2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one?
You can request a quote for 2-(4-Methylphenyl)-2,3-dihydro-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 2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.