![2-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione structure](/static/products/3268/326883-31-2.webp)
2-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
TL;DR: 2-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 326883-31-2) is a chemical compound with molecular formula C21H14N4O2S and molecular weight 386.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]benzo[de]isoquinoline-1,3-dione
Also Known As: 2-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, AB00672722-01, F0857-0005, AF-399/15336090, 2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]benzo[de]isoquinoline-1,3-dione
| Molecular Formula | C21H14N4O2S |
|---|---|
| Molecular Weight | 386.08 g/mol |
| LogP | 4.2311 |
| Topological Polar Surface Area | 75.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.08374 |
| Heavy Atoms | 28 |
| Complexity | 1168.8029 |
Chemical Identifiers
| CAS Number | 326883-31-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NN=C(S2)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
2-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 326883-31-2), with molecular formula C21H14N4O2S and molecular weight 386.08 g/mol. IUPAC: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Property Insights of 2-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
The XLogP value of 4.2311 indicates that 2-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione has 1 hydrogen bond donor(s) and 6 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-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The CAS number of 2-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is 326883-31-2.
What is the molecular formula of 2-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 2-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is C21H14N4O2S.
What is the molecular weight of 2-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 2-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is 386.08 g/mol.
Where can I buy 2-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 2-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-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-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(phenylamino)-1,3,4-thiadiazol-2-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.