5-(Isopropylsulfonyl)-4-phenyl-3(2H)-isothiazolone
TL;DR: 5-(Isopropylsulfonyl)-4-phenyl-3(2H)-isothiazolone (CAS 64445-68-7) is a chemical compound with molecular formula C12H13NO3S2 and molecular weight 283.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-5-propan-2-ylsulfonyl-1,2-thiazol-3-one
Also Known As: 5-(Isopropylsulfonyl)-4-phenyl-3(2H)-isothiazolone, 4-phenyl-5-propan-2-ylsulfonyl-1,2-thiazol-3-one, 9H-Purine-9-carboxamide,6-amino-N-methyl, 5-isopropylsulfonyl-4-phenyl-isothiazol-3-one, 4-phenyl-5-(propane-2-sulfonyl)-isothiazol-3-one
| Molecular Formula | C12H13NO3S2 |
|---|---|
| Molecular Weight | 283.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0337 |
| Heavy Atoms | 18 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 64445-68-7 |
|---|---|
| SMILES | CC(C)S(=O)(=O)C1=C(C(=O)NS1)C2=CC=CC=C2 |
| InChIKey | ORGUHJBOXDGGRP-UHFFFAOYSA-N |
Product Overview
5-(Isopropylsulfonyl)-4-phenyl-3(2H)-isothiazolone (CAS 64445-68-7), with molecular formula C12H13NO3S2 and molecular weight 283.03 g/mol. IUPAC: 4-phenyl-5-propan-2-ylsulfonyl-1,2-thiazol-3-one.
Chemical Property Profile of 5-(Isopropylsulfonyl)-4-phenyl-3(2H)-isothiazolone
Property Insights of 5-(Isopropylsulfonyl)-4-phenyl-3(2H)-isothiazolone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Isopropylsulfonyl)-4-phenyl-3(2H)-isothiazolone. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Isopropylsulfonyl)-4-phenyl-3(2H)-isothiazolone. Following Lipinski's Rule of Five, 5-(Isopropylsulfonyl)-4-phenyl-3(2H)-isothiazolone has 1 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 5-(Isopropylsulfonyl)-4-phenyl-3(2H)-isothiazolone?
The CAS number of 5-(Isopropylsulfonyl)-4-phenyl-3(2H)-isothiazolone is 64445-68-7.
What is the molecular formula of 5-(Isopropylsulfonyl)-4-phenyl-3(2H)-isothiazolone?
The molecular formula of 5-(Isopropylsulfonyl)-4-phenyl-3(2H)-isothiazolone is C12H13NO3S2.
What is the molecular weight of 5-(Isopropylsulfonyl)-4-phenyl-3(2H)-isothiazolone?
The molecular weight of 5-(Isopropylsulfonyl)-4-phenyl-3(2H)-isothiazolone is 283.03 g/mol.
Where can I buy 5-(Isopropylsulfonyl)-4-phenyl-3(2H)-isothiazolone?
You can request a quote for 5-(Isopropylsulfonyl)-4-phenyl-3(2H)-isothiazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Isopropylsulfonyl)-4-phenyl-3(2H)-isothiazolone?
Yes, KEHONG BIO provides custom synthesis services for 5-(Isopropylsulfonyl)-4-phenyl-3(2H)-isothiazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.