2-(Benzylsulfinyl)isophthalic acid
TL;DR: 2-(Benzylsulfinyl)isophthalic acid (CAS 67242-00-6) is a chemical compound with molecular formula C15H12O5S and molecular weight 304.04056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzylsulfinylbenzene-1,3-dicarboxylic acid
Also Known As: NCIStruc1_001729, NCIStruc2_001471, 2-(benzylsulfinyl)isophthalic acid, 2-benzylsulfinylbenzene-1,3-dicarboxylic acid, NCI60_002790
Technical Specifications
| Molecular Formula | C15H12O5S |
| Molecular Weight | 304.04056 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.04056 Da |
| Heavy Atoms | 21 |
| Complexity | 394.0 |
| SMILES | C1=CC=C(C=C1)CS(=O)C2=C(C=CC=C2C(=O)O)C(=O)O |
| InChIKey | CKAKBIDWQALZDX-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Benzylsulfinyl)isophthalic acid
Property Insights of 2-(Benzylsulfinyl)isophthalic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylsulfinyl)isophthalic acid. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylsulfinyl)isophthalic acid. Following Lipinski's Rule of Five, 2-(Benzylsulfinyl)isophthalic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Benzylsulfinyl)isophthalic acid?
The CAS number of 2-(Benzylsulfinyl)isophthalic acid is 67242-00-6.
What is the molecular formula of 2-(Benzylsulfinyl)isophthalic acid?
The molecular formula of 2-(Benzylsulfinyl)isophthalic acid is C15H12O5S.
What is the molecular weight of 2-(Benzylsulfinyl)isophthalic acid?
The molecular weight of 2-(Benzylsulfinyl)isophthalic acid is 304.04056 g/mol.
Where can I buy 2-(Benzylsulfinyl)isophthalic acid?
You can request a quote for 2-(Benzylsulfinyl)isophthalic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Benzylsulfinyl)isophthalic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Benzylsulfinyl)isophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.