AO-080/41820701
TL;DR: AO-080/41820701 (CAS 1005177-29-6) is a chemical compound with molecular formula C29H25BrN4O4 and molecular weight 572.1059 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-(4-bromophenyl)-1-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide
Also Known As: AO-080/41820701, N-(4-methylphenyl)-2-(4'-methyl-2'-{4-bromophenyl}-1',3'{2'H,3'aH}-trioxo-2,3,3'a,4',6',6'a-hexahydrospiro{1H-indole-3,6'-pyrrolo[3,4-c]pyrrole}-1-yl)acetamide, 2-[5-(4-bromophenyl)-1-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide
Technical Specifications
| Molecular Formula | C29H25BrN4O4 |
| Molecular Weight | 572.1059 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 98.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 572.1059 Da |
| Heavy Atoms | 38 |
| Complexity | 991.0 |
| SMILES | CC1C2C(C(=O)N(C2=O)C3=CC=C(C=C3)Br)C4(N1)C5=CC=CC=C5N(C4=O)CC(=O)NC6=CC=C(C=C6)C |
| InChIKey | SHKVOZPHCCIAOL-UHFFFAOYSA-N |
Chemical Property Profile of AO-080/41820701
Property Insights of AO-080/41820701
The XLogP value of 3.2 indicates that AO-080/41820701 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/41820701. Following Lipinski's Rule of Five, AO-080/41820701 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of AO-080/41820701?
The CAS number of AO-080/41820701 is 1005177-29-6.
What is the molecular formula of AO-080/41820701?
The molecular formula of AO-080/41820701 is C29H25BrN4O4.
What is the molecular weight of AO-080/41820701?
The molecular weight of AO-080/41820701 is 572.1059 g/mol.
Where can I buy AO-080/41820701?
You can request a quote for AO-080/41820701 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AO-080/41820701?
Yes, CoreyChem provides custom synthesis services for AO-080/41820701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.