AO-081/42035505
TL;DR: AO-081/42035505 (CAS 1005112-45-7) is a chemical compound with molecular formula C23H16BrClN2O3 and molecular weight 482.00327 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-bromophenyl)-5-(4-chlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: AO-081/42035505, 3-(3-bromophenyl)-5-(4-chlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(3-bromophenyl)-5-(4-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, 3-(3-bromophenyl)-5-(4-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(3-bromophenyl)-5-(4-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Technical Specifications
| Molecular Formula | C23H16BrClN2O3 |
| Molecular Weight | 482.00327 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 482.00327 Da |
| Heavy Atoms | 30 |
| Complexity | 665.0 |
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)Cl)C5=CC(=CC=C5)Br |
| InChIKey | GOKQVEOIHKKPNE-UHFFFAOYSA-N |
Chemical Property Profile of AO-081/42035505
Property Insights of AO-081/42035505
The XLogP value of 5.4 indicates that AO-081/42035505 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, AO-081/42035505 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/42035505 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of AO-081/42035505?
The CAS number of AO-081/42035505 is 1005112-45-7.
What is the molecular formula of AO-081/42035505?
The molecular formula of AO-081/42035505 is C23H16BrClN2O3.
What is the molecular weight of AO-081/42035505?
The molecular weight of AO-081/42035505 is 482.00327 g/mol.
Where can I buy AO-081/42035505?
You can request a quote for AO-081/42035505 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AO-081/42035505?
Yes, CoreyChem provides custom synthesis services for AO-081/42035505 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.