![1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone structure](/static/products/375/375839-69-3.png)
1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone
TL;DR: 1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone (CAS 375839-69-3) is a chemical compound with molecular formula C31H25N5O3S and molecular weight 547.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4'-(2,5-dimethylphenyl)-4-(3-nitrophenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-yl]ethanone
Also Known As: 1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone, 1-[4'-(2,5-dimethylphenyl)-4-(3-nitrophenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-yl]ethanone, 1-[4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanone
| Molecular Formula | C31H25N5O3S |
|---|---|
| Molecular Weight | 547.17 g/mol |
| LogP | 6.75044 |
| Topological Polar Surface Area | 91.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 547.1678 |
| Heavy Atoms | 40 |
| Complexity | 1736.2028 |
Chemical Identifiers
| CAS Number | 375839-69-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C2=NN(C3(C4=CC=CC=C42)N(N=C(S3)C(=O)C)C5=CC(=CC=C5)[N+](=O)[O-])C6=CC=CC=C6 |
Product Overview
1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone (CAS 375839-69-3), with molecular formula C31H25N5O3S and molecular weight 547.17 g/mol. IUPAC: 1-[4'-(2,5-dimethylphenyl)-4-(3-nitrophenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-yl]ethanone.
Chemical Property Profile of 1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone
Property Insights of 1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone
The XLogP value of 6.75044 indicates that 1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone. Following Lipinski's Rule of Five, 1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone 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 1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone?
The CAS number of 1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone is 375839-69-3.
What is the molecular formula of 1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone?
The molecular formula of 1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone is C31H25N5O3S.
What is the molecular weight of 1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone?
The molecular weight of 1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone is 547.17 g/mol.
Where can I buy 1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone?
You can request a quote for 1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.