(S)-3-(4-Methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide
TL;DR: (S)-3-(4-Methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide (CAS 2574-78-9) is a chemical compound with molecular formula C15H15NO3S and molecular weight 289.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-(4-methoxyphenyl)-2-methyl-3H-1,2-benzothiazole 1,1-dioxide
Also Known As: KST-1A3227, (S)-3-(4-Methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide, 1,2-Benzisothiazole, 2,3-dihydro-3-(4-methoxyphenyl)-2-methyl-, 1,1-dioxide, (3S)-, (3S)-3-(4-methoxyphenyl)-2-methyl-3H-1,2-benzothiazole 1,1-dioxide, (3S)-3-(4-Methoxyphenyl)-2-methyl-2,3-dihydro-1H-1lambda~6~,2-benzothiazole-1,1-dione
| Molecular Formula | C15H15NO3S |
|---|---|
| Molecular Weight | 289.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.07727 |
| Heavy Atoms | 20 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 2574-78-9 |
|---|---|
| SMILES | CN1[C@H](C2=CC=CC=C2S1(=O)=O)C3=CC=C(C=C3)OC |
| InChIKey | AGMLDWZOMOUTDX-HNNXBMFYSA-N |
Product Overview
(S)-3-(4-Methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide (CAS 2574-78-9), with molecular formula C15H15NO3S and molecular weight 289.08 g/mol. IUPAC: (3S)-3-(4-methoxyphenyl)-2-methyl-3H-1,2-benzothiazole 1,1-dioxide.
Chemical Property Profile of (S)-3-(4-Methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide
Property Insights of (S)-3-(4-Methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-(4-Methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide. With a topological polar surface area (TPSA) of 55.0 Ų, (S)-3-(4-Methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-3-(4-Methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide 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
Frequently Asked Questions
What is the CAS number of (S)-3-(4-Methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide?
The CAS number of (S)-3-(4-Methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide is 2574-78-9.
What is the molecular formula of (S)-3-(4-Methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide?
The molecular formula of (S)-3-(4-Methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide is C15H15NO3S.
What is the molecular weight of (S)-3-(4-Methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide?
The molecular weight of (S)-3-(4-Methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide is 289.08 g/mol.
Where can I buy (S)-3-(4-Methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide?
You can request a quote for (S)-3-(4-Methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-(4-Methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-(4-Methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.