2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione
TL;DR: 2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione (CAS 500147-44-4) is a chemical compound with molecular formula C18H10N4O5S and molecular weight 394.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione
Also Known As: 2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione, 2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindoline-1,3-dione, 2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[(3-nitrophenyl)carbonyl]-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C18H10N4O5S |
|---|---|
| Molecular Weight | 394.04 g/mol |
| LogP | 2.78632 |
| Topological Polar Surface Area | 123.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.0372 |
| Heavy Atoms | 28 |
| Complexity | 1186.224 |
Chemical Identifiers
| CAS Number | 500147-44-4 |
|---|---|
| SMILES | CC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione (CAS 500147-44-4), with molecular formula C18H10N4O5S and molecular weight 394.04 g/mol. IUPAC: 2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione.
Chemical Property Profile of 2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione
Property Insights of 2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione
The XLogP value of 2.78632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione. The TPSA of 123.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione has 0 hydrogen bond donor(s) and 8 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-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione?
The CAS number of 2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione is 500147-44-4.
What is the molecular formula of 2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione?
The molecular formula of 2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione is C18H10N4O5S.
What is the molecular weight of 2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione?
The molecular weight of 2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione is 394.04 g/mol.
Where can I buy 2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione?
You can request a quote for 2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.