C30H20ClFN2O5
TL;DR: C30H20ClFN2O5 (CAS 1024528-79-7) is a chemical compound with molecular formula C30H20ClFN2O5 and molecular weight 542.1045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[2-(4-chlorophenyl)-5-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate
Also Known As: [4-[2-(4-chlorophenyl)-5-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate|4-(2-(4-chlorophenyl)-5-(4-fluorophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate|4-[2-(4-chlorophenyl)-5-(4-fluorophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate|C30H20ClFN2O5|STL005649
Technical Specifications
| Molecular Formula | C30H20ClFN2O5 |
| Molecular Weight | 542.1045 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 76.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 542.1045 Da |
| Heavy Atoms | 39 |
| Complexity | 907.0 |
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3C4C(C(=O)N(C4=O)C5=CC=C(C=C5)F)ON3C6=CC=C(C=C6)Cl |
| InChIKey | LMJKUQKVRQKBDU-UHFFFAOYSA-N |
Chemical Property Profile of C30H20ClFN2O5
Property Insights of C30H20ClFN2O5
The XLogP value of 6.2 indicates that C30H20ClFN2O5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for C30H20ClFN2O5. Following Lipinski's Rule of Five, C30H20ClFN2O5 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 C30H20ClFN2O5?
The CAS number of C30H20ClFN2O5 is 1024528-79-7.
What is the molecular formula of C30H20ClFN2O5?
The molecular formula of C30H20ClFN2O5 is C30H20ClFN2O5.
What is the molecular weight of C30H20ClFN2O5?
The molecular weight of C30H20ClFN2O5 is 542.1045 g/mol.
Where can I buy C30H20ClFN2O5?
You can request a quote for C30H20ClFN2O5 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C30H20ClFN2O5?
Yes, CoreyChem provides custom synthesis services for C30H20ClFN2O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.