ChemDiv3_004852
TL;DR: ChemDiv3_004852 (CAS 523990-28-5) is a chemical compound with molecular formula C19H16N4O5S and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(benzotriazol-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]isoindole-1,3-dione
Also Known As: ChemDiv3_004852, IDI1_022762, AB00384794-10, 2-[1-(benzotriazol-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]isoindole-1,3-dione, 2-(1-(1H-benzo[d][1,2,3]triazol-1-yl)-4-(methylsulfonyl)-1-oxobutan-2-yl)isoindoline-1,3-dione
| Molecular Formula | C19H16N4O5S |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.08414 |
| Heavy Atoms | 29 |
| Complexity | 771.0 |
Chemical Identifiers
| CAS Number | 523990-28-5 |
|---|---|
| SMILES | CS(=O)(=O)CCC(C(=O)N1C2=CC=CC=C2N=N1)N3C(=O)C4=CC=CC=C4C3=O |
| InChIKey | MJLKHVXVDGDMDN-UHFFFAOYSA-N |
Product Overview
ChemDiv3_004852 (CAS 523990-28-5), with molecular formula C19H16N4O5S and molecular weight 412.08 g/mol. IUPAC: 2-[1-(benzotriazol-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]isoindole-1,3-dione.
Chemical Property Profile of ChemDiv3_004852
Property Insights of ChemDiv3_004852
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004852. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004852. Following Lipinski's Rule of Five, ChemDiv3_004852 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 ChemDiv3_004852?
The CAS number of ChemDiv3_004852 is 523990-28-5.
What is the molecular formula of ChemDiv3_004852?
The molecular formula of ChemDiv3_004852 is C19H16N4O5S.
What is the molecular weight of ChemDiv3_004852?
The molecular weight of ChemDiv3_004852 is 412.08 g/mol.
Where can I buy ChemDiv3_004852?
You can request a quote for ChemDiv3_004852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004852?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.