AO-022/41702986
TL;DR: AO-022/41702986 (CAS 496799-22-5) is a chemical compound with molecular formula C29H29NO5 and molecular weight 471.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-methoxypropyl)-5-phenylpyrrolidine-2,3-dione
Also Known As: AO-022/41702986, 4-[4-(benzyloxy)-2-methylbenzoyl]-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-methoxypropyl)-5-phenylpyrrolidine-2,3-dione, (4E)-4-{[4-(benzyloxy)-2-methylphenyl](hydroxy)methylidene}-1-(3-methoxypropyl)-5-phenylpyrrolidine-2,3-dione, 4-(4-(benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-phenyl-1H-pyrrol-2(5H)-one
| Molecular Formula | C29H29NO5 |
|---|---|
| Molecular Weight | 471.20 g/mol |
| LogP | 5.03222 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 471.20456 |
| Heavy Atoms | 35 |
| Complexity | 1220.3342 |
Chemical Identifiers
| CAS Number | 496799-22-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCCOC)C4=CC=CC=C4)/O |
Product Overview
AO-022/41702986 (CAS 496799-22-5), with molecular formula C29H29NO5 and molecular weight 471.20 g/mol. IUPAC: (4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-methoxypropyl)-5-phenylpyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/41702986
Property Insights of AO-022/41702986
The XLogP value of 5.03222 indicates that AO-022/41702986 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/41702986. Following Lipinski's Rule of Five, AO-022/41702986 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-022/41702986?
The CAS number of AO-022/41702986 is 496799-22-5.
What is the molecular formula of AO-022/41702986?
The molecular formula of AO-022/41702986 is C29H29NO5.
What is the molecular weight of AO-022/41702986?
The molecular weight of AO-022/41702986 is 471.20 g/mol.
Where can I buy AO-022/41702986?
You can request a quote for AO-022/41702986 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/41702986?
Yes, KEHONG BIO provides custom synthesis services for AO-022/41702986 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.