ChemDiv2_004517
TL;DR: ChemDiv2_004517 (CAS 523990-27-4) is a chemical compound with molecular formula C22H18N2O6S and molecular weight 438.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate
Also Known As: ChemDiv2_004517, IDI1_003232, quinolin-8-yl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate, quinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate, quinolin-8-yl 2-(1,3-dioxoisoindolin-2-yl)-4-(methylsulfonyl)butanoate
| Molecular Formula | C22H18N2O6S |
|---|---|
| Molecular Weight | 438.09 g/mol |
| LogP | 2.2397 |
| Topological Polar Surface Area | 110.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.08856 |
| Heavy Atoms | 31 |
| Complexity | 1278.0854 |
Chemical Identifiers
| CAS Number | 523990-27-4 |
|---|---|
| SMILES | CS(=O)(=O)CCC(C(=O)OC1=CC=CC2=C1N=CC=C2)N3C(=O)C4=CC=CC=C4C3=O |
Product Overview
ChemDiv2_004517 (CAS 523990-27-4), with molecular formula C22H18N2O6S and molecular weight 438.09 g/mol. IUPAC: quinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate.
Chemical Property Profile of ChemDiv2_004517
Property Insights of ChemDiv2_004517
The XLogP value of 2.2397 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004517. The TPSA of 110.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004517. Following Lipinski's Rule of Five, ChemDiv2_004517 has 0 hydrogen bond donor(s) and 7 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 ChemDiv2_004517?
The CAS number of ChemDiv2_004517 is 523990-27-4.
What is the molecular formula of ChemDiv2_004517?
The molecular formula of ChemDiv2_004517 is C22H18N2O6S.
What is the molecular weight of ChemDiv2_004517?
The molecular weight of ChemDiv2_004517 is 438.09 g/mol.
Where can I buy ChemDiv2_004517?
You can request a quote for ChemDiv2_004517 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004517?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004517 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.