AO-081/42035504
TL;DR: AO-081/42035504 (CAS 1005252-53-8) is a chemical compound with molecular formula C24H19BrN2O3 and molecular weight 462.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C24H19BrN2O3 |
|---|---|
| Molecular Weight | 462.06 g/mol |
| LogP | 4.80862 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.05792 |
| Heavy Atoms | 30 |
| Complexity | 1134.0597 |
Chemical Identifiers
| CAS Number | 1005252-53-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)Br |
Product Overview
AO-081/42035504 (CAS 1005252-53-8), with molecular formula C24H19BrN2O3 and molecular weight 462.06 g/mol. IUPAC: 3-(3-bromophenyl)-5-(3-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of AO-081/42035504
Property Insights of AO-081/42035504
The XLogP value of 4.80862 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 49.85 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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
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 462.06 g/mol.
Where can I buy AO-081/42035504?
You can request a quote for AO-081/42035504 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/42035504?
Yes, KEHONG BIO provides custom synthesis services for AO-081/42035504 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.