C25H21ClN4O2S
TL;DR: C25H21ClN4O2S (CAS 668439-36-9) is a chemical compound with molecular formula C25H21ClN4O2S and molecular weight 476.10736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(2-chlorophenyl)-4'-ethyl-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate
Also Known As: methyl 3'-(2-chlorophenyl)-4-ethyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate, methyl 3-(2-chlorophenyl)-6-ethyl-8-phenylspiro[1,3,4-thiadiazoline-2,4'-3',4- dihydrophthalazine]-5-carboxylate, methyl 4-(2-chlorophenyl)-4'-ethyl-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate, spiro[phthalazine-1(2H),2'(3'H)-[1,3,4]thiadiazole]-5'-carboxylic acid, 3'-(2-chlorophenyl)-4-ethyl-2-phenyl-, methyl ester
Technical Specifications
| Molecular Formula | C25H21ClN4O2S |
| Molecular Weight | 476.10736 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 82.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.10736 Da |
| Heavy Atoms | 33 |
| Complexity | 801.0 |
| SMILES | CCC1=NN(C2(C3=CC=CC=C31)N(N=C(S2)C(=O)OC)C4=CC=CC=C4Cl)C5=CC=CC=C5 |
| InChIKey | IGACVGHPVXAYPU-UHFFFAOYSA-N |
Chemical Property Profile of C25H21ClN4O2S
Property Insights of C25H21ClN4O2S
The XLogP value of 7.1 indicates that C25H21ClN4O2S 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 C25H21ClN4O2S. Following Lipinski's Rule of Five, C25H21ClN4O2S 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 C25H21ClN4O2S?
The CAS number of C25H21ClN4O2S is 668439-36-9.
What is the molecular formula of C25H21ClN4O2S?
The molecular formula of C25H21ClN4O2S is C25H21ClN4O2S.
What is the molecular weight of C25H21ClN4O2S?
The molecular weight of C25H21ClN4O2S is 476.10736 g/mol.
Where can I buy C25H21ClN4O2S?
You can request a quote for C25H21ClN4O2S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C25H21ClN4O2S?
Yes, CoreyChem provides custom synthesis services for C25H21ClN4O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.