ChemDiv2_001361
TL;DR: ChemDiv2_001361 (CAS 523990-29-6) is a chemical compound with molecular formula C26H22N4O6S and molecular weight 518.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzotriazol-2-yl)-4-methylphenyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate
Also Known As: ChemDiv2_001361, AJ-292/41548175, [2-(benzotriazol-2-yl)-4-methylphenyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate, 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfonyl)butanoate, 2-(2H-1,2,3-BENZOTRIAZOL-2-YL)-4-METHYLPHENYL 2-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)-4-METHANESULFONYLBUTANOATE
| Molecular Formula | C26H22N4O6S |
|---|---|
| Molecular Weight | 518.13 g/mol |
| LogP | 2.73382 |
| Topological Polar Surface Area | 128.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.126 |
| Heavy Atoms | 37 |
| Complexity | 1609.4055 |
Chemical Identifiers
| CAS Number | 523990-29-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O)N4N=C5C=CC=CC5=N4 |
Product Overview
ChemDiv2_001361 (CAS 523990-29-6), with molecular formula C26H22N4O6S and molecular weight 518.13 g/mol. IUPAC: [2-(benzotriazol-2-yl)-4-methylphenyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate.
Chemical Property Profile of ChemDiv2_001361
Property Insights of ChemDiv2_001361
The XLogP value of 2.73382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_001361. The TPSA of 128.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001361. Following Lipinski's Rule of Five, ChemDiv2_001361 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv2_001361?
The CAS number of ChemDiv2_001361 is 523990-29-6.
What is the molecular formula of ChemDiv2_001361?
The molecular formula of ChemDiv2_001361 is C26H22N4O6S.
What is the molecular weight of ChemDiv2_001361?
The molecular weight of ChemDiv2_001361 is 518.13 g/mol.
Where can I buy ChemDiv2_001361?
You can request a quote for ChemDiv2_001361 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001361?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001361 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.