![2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid structure](/static/products/971/97132-10-0.png)
2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid
TL;DR: 2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid (CAS 97132-10-0) is a chemical compound with molecular formula C17H15NO3S and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)sulfanyl]acetic acid
Also Known As: 2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid, 2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)sulfanyl]acetic acid, 2-(2-benzyl-3-oxo-isoindolin-1-yl)sulfanylacetic acid, 2-[(2-benzyl-3-keto-isoindolin-1-yl)thio]acetic acid, 2-[[3-oxo-2-(phenylmethyl)-1H-isoindol-1-yl]thio]acetic acid
| Molecular Formula | C17H15NO3S |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | 3.159 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.07727 |
| Heavy Atoms | 22 |
| Complexity | 702.06006 |
Chemical Identifiers
| CAS Number | 97132-10-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)SCC(=O)O |
Product Overview
2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid (CAS 97132-10-0), with molecular formula C17H15NO3S and molecular weight 313.08 g/mol. IUPAC: 2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid
Property Insights of 2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid
The XLogP value of 3.159 indicates that 2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid has 1 hydrogen bond donor(s) and 3 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-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid?
The CAS number of 2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid is 97132-10-0.
What is the molecular formula of 2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid?
The molecular formula of 2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid is C17H15NO3S.
What is the molecular weight of 2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid?
The molecular weight of 2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid is 313.08 g/mol.
Where can I buy 2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid?
You can request a quote for 2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.