C26H22ClN3O7S
TL;DR: C26H22ClN3O7S (CAS 1005107-64-1) is a chemical compound with molecular formula C26H22ClN3O7S and molecular weight 555.0867 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate
Also Known As: ethyl 2-[2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate, F1248-0043, ethyl 2-[2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5-dimethylthiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C26H22ClN3O7S |
| Molecular Weight | 555.0867 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 555.0867 Da |
| Heavy Atoms | 38 |
| Complexity | 950.0 |
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)[N+](=O)[O-] |
| InChIKey | NDDWDIUNRULTLD-UHFFFAOYSA-N |
Chemical Property Profile of C26H22ClN3O7S
Property Insights of C26H22ClN3O7S
The XLogP value of 5.5 indicates that C26H22ClN3O7S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting C26H22ClN3O7S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C26H22ClN3O7S has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C26H22ClN3O7S?
The CAS number of C26H22ClN3O7S is 1005107-64-1.
What is the molecular formula of C26H22ClN3O7S?
The molecular formula of C26H22ClN3O7S is C26H22ClN3O7S.
What is the molecular weight of C26H22ClN3O7S?
The molecular weight of C26H22ClN3O7S is 555.0867 g/mol.
Where can I buy C26H22ClN3O7S?
You can request a quote for C26H22ClN3O7S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C26H22ClN3O7S?
Yes, CoreyChem provides custom synthesis services for C26H22ClN3O7S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.