2-Benzhydrylsulfonylacetic acid
TL;DR: 2-Benzhydrylsulfonylacetic acid (CAS 101094-05-7) is a chemical compound with molecular formula C15H14O4S and molecular weight 290.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzhydrylsulfonylacetic acid
Also Known As: Modafinil Carboxylate Sulfone, Modafinil Impurity 3, 2-benzhydrylsulfonylacetic acid, (benzhydrylsulfonyl)acetic acid, NCIStruc1_000648
| Molecular Formula | C15H14O4S |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.06128 |
| Heavy Atoms | 20 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 101094-05-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)(=O)CC(=O)O |
| InChIKey | XTXZDQKYJIHOMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzhydrylsulfonylacetic acid (CAS 101094-05-7), with molecular formula C15H14O4S and molecular weight 290.06 g/mol. IUPAC: 2-benzhydrylsulfonylacetic acid.
Chemical Property Profile of 2-Benzhydrylsulfonylacetic acid
Property Insights of 2-Benzhydrylsulfonylacetic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzhydrylsulfonylacetic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzhydrylsulfonylacetic acid. Following Lipinski's Rule of Five, 2-Benzhydrylsulfonylacetic acid 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 2-Benzhydrylsulfonylacetic acid?
The CAS number of 2-Benzhydrylsulfonylacetic acid is 101094-05-7.
What is the molecular formula of 2-Benzhydrylsulfonylacetic acid?
The molecular formula of 2-Benzhydrylsulfonylacetic acid is C15H14O4S.
What is the molecular weight of 2-Benzhydrylsulfonylacetic acid?
The molecular weight of 2-Benzhydrylsulfonylacetic acid is 290.06 g/mol.
Where can I buy 2-Benzhydrylsulfonylacetic acid?
You can request a quote for 2-Benzhydrylsulfonylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzhydrylsulfonylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzhydrylsulfonylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.