1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)-
TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)- (CAS 40318-14-7) is a chemical compound with molecular formula C12H13NO3S and molecular weight 251.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfinylisoindole-1,3-dione
Also Known As: N-butylsulfinylphthalimide, N-(Butylsulfinyl)phthalimide, 2-butylsulfinylisoindole-1,3-dione, 2-(Butylsulfinyl)-1H-isoindole-1,3(2H)-dione, 1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)-
| Molecular Formula | C12H13NO3S |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 73.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.06161 |
| Heavy Atoms | 17 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 40318-14-7 |
|---|---|
| SMILES | CCCCS(=O)N1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | LGJFRUZRUODPDI-UHFFFAOYSA-N |
Product Overview
1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)- (CAS 40318-14-7), with molecular formula C12H13NO3S and molecular weight 251.06 g/mol. IUPAC: 2-butylsulfinylisoindole-1,3-dione.
Chemical Property Profile of 1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)-
Property Insights of 1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)-. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)-. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)- 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 1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)-?
The CAS number of 1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)- is 40318-14-7.
What is the molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)-?
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)- is C12H13NO3S.
What is the molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)-?
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)- is 251.06 g/mol.
Where can I buy 1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)-?
You can request a quote for 1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.