ChemDiv1_025025
TL;DR: ChemDiv1_025025 (CAS 311315-44-3) is a chemical compound with molecular formula C30H22ClN5O4S and molecular weight 583.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4'-(4-chlorophenyl)-4-(4-nitrophenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate
Also Known As: ChemDiv1_025025, ethyl 4-(4-chlorophenyl)-4'-(4-nitrophenyl)-2-phenyl-1,2,4',5'-tetrahydrospiro(phthalazine-1,5'-[1,3,4]-thiadiazole)-2'-carboxylate, A1198/0055185, ethyl 4-(4-chlorophenyl)-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate, ethyl 4'-(4-chlorophenyl)-4-(4-nitrophenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate
| Molecular Formula | C30H22ClN5O4S |
|---|---|
| Molecular Weight | 583.11 g/mol |
| LogP | 6.7611 |
| Topological Polar Surface Area | 100.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 583.1081 |
| Heavy Atoms | 41 |
| Complexity | 1696.4944 |
Chemical Identifiers
| CAS Number | 311315-44-3 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)[N+](=O)[O-] |
Product Overview
ChemDiv1_025025 (CAS 311315-44-3), with molecular formula C30H22ClN5O4S and molecular weight 583.11 g/mol. IUPAC: ethyl 4'-(4-chlorophenyl)-4-(4-nitrophenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate.
Chemical Property Profile of ChemDiv1_025025
Property Insights of ChemDiv1_025025
The XLogP value of 6.7611 indicates that ChemDiv1_025025 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025025. Following Lipinski's Rule of Five, ChemDiv1_025025 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_025025?
The CAS number of ChemDiv1_025025 is 311315-44-3.
What is the molecular formula of ChemDiv1_025025?
The molecular formula of ChemDiv1_025025 is C30H22ClN5O4S.
What is the molecular weight of ChemDiv1_025025?
The molecular weight of ChemDiv1_025025 is 583.11 g/mol.
Where can I buy ChemDiv1_025025?
You can request a quote for ChemDiv1_025025 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025025?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025025 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.