C28H20ClN3O6
TL;DR: C28H20ClN3O6 (CAS 1023466-65-0) is a chemical compound with molecular formula C28H20ClN3O6 and molecular weight 529.10406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-benzyl-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-benzyl-3-(5-(4-chloro-2-nitrophenyl)furan-2-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-benzyl-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-benzyl-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Technical Specifications
| Molecular Formula | C28H20ClN3O6 |
| Molecular Weight | 529.10406 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 529.10406 Da |
| Heavy Atoms | 38 |
| Complexity | 904.0 |
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(O5)C6=C(C=C(C=C6)Cl)[N+](=O)[O-] |
| InChIKey | HKAFWWXDHNSTMU-UHFFFAOYSA-N |
Chemical Property Profile of C28H20ClN3O6
Property Insights of C28H20ClN3O6
The XLogP value of 5.2 indicates that C28H20ClN3O6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H20ClN3O6. Following Lipinski's Rule of Five, C28H20ClN3O6 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 C28H20ClN3O6?
The CAS number of C28H20ClN3O6 is 1023466-65-0.
What is the molecular formula of C28H20ClN3O6?
The molecular formula of C28H20ClN3O6 is C28H20ClN3O6.
What is the molecular weight of C28H20ClN3O6?
The molecular weight of C28H20ClN3O6 is 529.10406 g/mol.
Where can I buy C28H20ClN3O6?
You can request a quote for C28H20ClN3O6 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C28H20ClN3O6?
Yes, CoreyChem provides custom synthesis services for C28H20ClN3O6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.