3-Hydroxy-2-(2-thienylmethyl)-1-isoindolinone
TL;DR: 3-Hydroxy-2-(2-thienylmethyl)-1-isoindolinone (CAS 176441-95-5) is a chemical compound with molecular formula C13H11NO2S and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-(thiophen-2-ylmethyl)-3H-isoindol-1-one
Also Known As: 3-hydroxy-2-(2-thienylmethyl)-1-isoindolinone, 3-hydroxy-2-(thiophen-2-ylmethyl)-3H-isoindol-1-one, 3-hydroxy-2-(2-thienylmethyl)isoindolin-1-one, 3-hydroxy-2-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-isoindol-1-one, 3-Hydroxy-2-thiophen-2-ylmethyl-2,3-dihydro-isoindol-1-one
| Molecular Formula | C13H11NO2S |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 2.395 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.05106 |
| Heavy Atoms | 17 |
| Complexity | 550.30695 |
Chemical Identifiers
| CAS Number | 176441-95-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(N(C2=O)CC3=CC=CS3)O |
Product Overview
3-Hydroxy-2-(2-thienylmethyl)-1-isoindolinone (CAS 176441-95-5), with molecular formula C13H11NO2S and molecular weight 245.05 g/mol. IUPAC: 3-hydroxy-2-(thiophen-2-ylmethyl)-3H-isoindol-1-one.
Chemical Property Profile of 3-Hydroxy-2-(2-thienylmethyl)-1-isoindolinone
Property Insights of 3-Hydroxy-2-(2-thienylmethyl)-1-isoindolinone
The XLogP value of 2.395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2-(2-thienylmethyl)-1-isoindolinone. With a topological polar surface area (TPSA) of 40.54 Ų, 3-Hydroxy-2-(2-thienylmethyl)-1-isoindolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-2-(2-thienylmethyl)-1-isoindolinone 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 3-Hydroxy-2-(2-thienylmethyl)-1-isoindolinone?
The CAS number of 3-Hydroxy-2-(2-thienylmethyl)-1-isoindolinone is 176441-95-5.
What is the molecular formula of 3-Hydroxy-2-(2-thienylmethyl)-1-isoindolinone?
The molecular formula of 3-Hydroxy-2-(2-thienylmethyl)-1-isoindolinone is C13H11NO2S.
What is the molecular weight of 3-Hydroxy-2-(2-thienylmethyl)-1-isoindolinone?
The molecular weight of 3-Hydroxy-2-(2-thienylmethyl)-1-isoindolinone is 245.05 g/mol.
Where can I buy 3-Hydroxy-2-(2-thienylmethyl)-1-isoindolinone?
You can request a quote for 3-Hydroxy-2-(2-thienylmethyl)-1-isoindolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2-(2-thienylmethyl)-1-isoindolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-(2-thienylmethyl)-1-isoindolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.