![2-Benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone structure](/static/products/866/866008-87-9.png)
2-Benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone
TL;DR: 2-Benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone (CAS 866008-87-9) is a chemical compound with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-isoindol-1-one
Also Known As: 2-benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone, 2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-isoindol-1-one, 2-benzyl-3-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-2,3-dihydro-1H-isoindol-1-one, 2-benzyl-3-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3H-isoindol-1-one
| Molecular Formula | C21H22N2O3S |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 2.9332 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.1351 |
| Heavy Atoms | 27 |
| Complexity | 821.1863 |
Chemical Identifiers
| CAS Number | 866008-87-9 |
|---|---|
| SMILES | C1COCCN1C(=O)CSC2C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4 |
Product Overview
2-Benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone (CAS 866008-87-9), with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol. IUPAC: 2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-isoindol-1-one.
Chemical Property Profile of 2-Benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone
Property Insights of 2-Benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone
The XLogP value of 2.9332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone. With a topological polar surface area (TPSA) of 49.85 Ų, 2-Benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone 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 2-Benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone?
The CAS number of 2-Benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone is 866008-87-9.
What is the molecular formula of 2-Benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone?
The molecular formula of 2-Benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone is C21H22N2O3S.
What is the molecular weight of 2-Benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone?
The molecular weight of 2-Benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone is 382.14 g/mol.
Where can I buy 2-Benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone?
You can request a quote for 2-Benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-3-[(2-morpholino-2-oxoethyl)sulfanyl]-1-isoindolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.