AO-081/40847134
TL;DR: AO-081/40847134 (CAS 498560-96-6) is a chemical compound with molecular formula C32H31N3O5 and molecular weight 537.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethylphenyl)-2-[2-methoxy-4-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
Also Known As: AO-081/40847134, N-(3,4-dimethylphenyl)-2-[2-methoxy-4-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide, N-(3,4-dimethylphenyl)-2-{2-methoxy-4-[3-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydro-2-quinazolinyl]phenoxy}acetamide, N-(3,4-dimethylphenyl)-2-(2-methoxy-4-(3-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)phenoxy)acetamide, N-(3,4-dimethylphenyl)-2-{2-methoxy-4-[3-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenoxy}acetamide
| Molecular Formula | C32H31N3O5 |
|---|---|
| Molecular Weight | 537.23 g/mol |
| LogP | 6.10924 |
| Topological Polar Surface Area | 89.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 537.2264 |
| Heavy Atoms | 40 |
| Complexity | 1550.9385 |
Chemical Identifiers
| CAS Number | 498560-96-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C3NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)OC)OC)C |
Product Overview
AO-081/40847134 (CAS 498560-96-6), with molecular formula C32H31N3O5 and molecular weight 537.23 g/mol. IUPAC: N-(3,4-dimethylphenyl)-2-[2-methoxy-4-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide.
Chemical Property Profile of AO-081/40847134
Property Insights of AO-081/40847134
The XLogP value of 6.10924 indicates that AO-081/40847134 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40847134. Following Lipinski's Rule of Five, AO-081/40847134 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/40847134?
The CAS number of AO-081/40847134 is 498560-96-6.
What is the molecular formula of AO-081/40847134?
The molecular formula of AO-081/40847134 is C32H31N3O5.
What is the molecular weight of AO-081/40847134?
The molecular weight of AO-081/40847134 is 537.23 g/mol.
Where can I buy AO-081/40847134?
You can request a quote for AO-081/40847134 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40847134?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40847134 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.