AO-080/42479618
TL;DR: AO-080/42479618 (CAS 540514-58-7) is a chemical compound with molecular formula C23H18BrN3O2 and molecular weight 447.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5'-bromo-1'-methyl-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
Also Known As: AO-080/42479618, 5-bromo-1-methyl-3'-(4-methylphenyl)-1'H-spiro[indole-3,2'-quinazoline]-2,4'(1H,3'H)-dione, 5'-bromo-1'-methyl-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione, 5-bromo-1-methyl-3'-(4-methylphenyl)-1,2',3,3'-tetrahydrospiro(2H-indole-3,2'-quinazoline)-2,4'(1'H)-dione
| Molecular Formula | C23H18BrN3O2 |
|---|---|
| Molecular Weight | 447.06 g/mol |
| LogP | 4.65922 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 447.05823 |
| Heavy Atoms | 29 |
| Complexity | 1174.9954 |
Chemical Identifiers
| CAS Number | 540514-58-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC24C5=C(C=CC(=C5)Br)N(C4=O)C |
Product Overview
AO-080/42479618 (CAS 540514-58-7), with molecular formula C23H18BrN3O2 and molecular weight 447.06 g/mol. IUPAC: 5'-bromo-1'-methyl-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione.
Chemical Property Profile of AO-080/42479618
Property Insights of AO-080/42479618
The XLogP value of 4.65922 indicates that AO-080/42479618 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, AO-080/42479618 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-080/42479618 has 1 hydrogen bond donor(s) and 3 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-080/42479618?
The CAS number of AO-080/42479618 is 540514-58-7.
What is the molecular formula of AO-080/42479618?
The molecular formula of AO-080/42479618 is C23H18BrN3O2.
What is the molecular weight of AO-080/42479618?
The molecular weight of AO-080/42479618 is 447.06 g/mol.
Where can I buy AO-080/42479618?
You can request a quote for AO-080/42479618 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/42479618?
Yes, KEHONG BIO provides custom synthesis services for AO-080/42479618 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.