ChemDiv1_021048
TL;DR: ChemDiv1_021048 (CAS 311763-62-9) is a chemical compound with molecular formula C30H23ClN4O2S and molecular weight 538.12305 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4'-(4-chlorophenyl)-4-(4-methoxyphenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-yl]ethanone
Also Known As: 1-(4-(4-chlorophenyl)-3'-(4-methoxyphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone, F0905-6859, 1-[4-(4-chlorophenyl)-3'-(4-methoxyphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-yl]ethan-1-one, 1-[4'-(4-chlorophenyl)-4-(4-methoxyphenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-yl]ethanone, 1-[4-(4-CHLOROPHENYL)-3'-(4-METHOXYPHENYL)-2-PHENYL-2{H},3'{H}-SPIRO[PHTHALAZINE-1,2'-[1,3,4]THIADIAZOL]-5'-YL]ETHANONE
Technical Specifications
| Molecular Formula | C30H23ClN4O2S |
| Molecular Weight | 538.12305 g/mol |
| XLogP | 7.8 |
| Topological Polar Surface Area (TPSA) | 82.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 538.12305 Da |
| Heavy Atoms | 38 |
| Complexity | 923.0 |
| SMILES | CC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC |
| InChIKey | HLIASQNICMPWDS-UHFFFAOYSA-N |
Chemical Property Profile of ChemDiv1_021048
Property Insights of ChemDiv1_021048
The XLogP value of 7.8 indicates that ChemDiv1_021048 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021048. Following Lipinski's Rule of Five, ChemDiv1_021048 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ChemDiv1_021048?
The CAS number of ChemDiv1_021048 is 311763-62-9.
What is the molecular formula of ChemDiv1_021048?
The molecular formula of ChemDiv1_021048 is C30H23ClN4O2S.
What is the molecular weight of ChemDiv1_021048?
The molecular weight of ChemDiv1_021048 is 538.12305 g/mol.
Where can I buy ChemDiv1_021048?
You can request a quote for ChemDiv1_021048 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ChemDiv1_021048?
Yes, CoreyChem provides custom synthesis services for ChemDiv1_021048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.