AO-022/42100020
TL;DR: AO-022/42100020 (CAS 615271-29-9) is a chemical compound with molecular formula C27H26N2O4 and molecular weight 442.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Also Known As: AO-022/42100020, 3-hydroxy-5-(4-isopropoxyphenyl)-4-(4-methylbenzoyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one, 3-hydroxy-5-(4-isopropoxyphenyl)-4-(4-methylbenzoyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one, (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione, 3-hydroxy-5-[4-(methylethoxy)phenyl]-4-[(4-methylphenyl)carbonyl]-1-(3-pyridyl methyl)-3-pyrrolin-2-one
| Molecular Formula | C27H26N2O4 |
|---|---|
| Molecular Weight | 442.19 g/mol |
| LogP | 4.79912 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.18927 |
| Heavy Atoms | 33 |
| Complexity | 1183.0557 |
Chemical Identifiers
| CAS Number | 615271-29-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)OC(C)C)/O |
Product Overview
AO-022/42100020 (CAS 615271-29-9), with molecular formula C27H26N2O4 and molecular weight 442.19 g/mol. IUPAC: (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/42100020
Property Insights of AO-022/42100020
The XLogP value of 4.79912 indicates that AO-022/42100020 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42100020. Following Lipinski's Rule of Five, AO-022/42100020 has 1 hydrogen bond donor(s) and 5 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-022/42100020?
The CAS number of AO-022/42100020 is 615271-29-9.
What is the molecular formula of AO-022/42100020?
The molecular formula of AO-022/42100020 is C27H26N2O4.
What is the molecular weight of AO-022/42100020?
The molecular weight of AO-022/42100020 is 442.19 g/mol.
Where can I buy AO-022/42100020?
You can request a quote for AO-022/42100020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42100020?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42100020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.