AO-081/42035504
TL;DR: AO-081/42035504 (CAS 1005252-53-8) is a chemical compound with molecular formula C24H19BrN2O3 and molecular weight 462.05792 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-bromophenyl)-5-(3-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: AO-081/42035504, 3-(3-bromophenyl)-5-(3-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(3-bromophenyl)-5-(3-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, 3-(3-bromophenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-(3-bromophenyl)-5-(3-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Technical Specifications
| Molecular Formula | C24H19BrN2O3 |
| Molecular Weight | 462.05792 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.05792 Da |
| Heavy Atoms | 30 |
| Complexity | 667.0 |
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)Br |
| InChIKey | IDGHCYMBHQVNLW-UHFFFAOYSA-N |
Chemical Property Profile of AO-081/42035504
Property Insights of AO-081/42035504
The XLogP value of 5.1 indicates that AO-081/42035504 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-081/42035504 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/42035504 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-081/42035504?
The CAS number of AO-081/42035504 is 1005252-53-8.
What is the molecular formula of AO-081/42035504?
The molecular formula of AO-081/42035504 is C24H19BrN2O3.
What is the molecular weight of AO-081/42035504?
The molecular weight of AO-081/42035504 is 462.05792 g/mol.
Where can I buy AO-081/42035504?
You can request a quote for AO-081/42035504 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AO-081/42035504?
Yes, CoreyChem provides custom synthesis services for AO-081/42035504 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.