AO-022/42379539
TL;DR: AO-022/42379539 (CAS 627822-27-9) is a chemical compound with molecular formula C22H27N3O5S and molecular weight 445.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
Also Known As: AO-022/42379539, 5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one, 2-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one, 2-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one, 5-(3,4-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-1H-pyrrol-2(5H)-one
| Molecular Formula | C22H27N3O5S |
|---|---|
| Molecular Weight | 445.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.16714 |
| Heavy Atoms | 31 |
| Complexity | 715.0 |
Chemical Identifiers
| CAS Number | 627822-27-9 |
|---|---|
| SMILES | CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC(=C(C=C3)OC)OC)CCN(C)C)O |
| InChIKey | WWWDBCUXHGFVRS-UHFFFAOYSA-N |
Product Overview
AO-022/42379539 (CAS 627822-27-9), with molecular formula C22H27N3O5S and molecular weight 445.17 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one.
Chemical Property Profile of AO-022/42379539
Property Insights of AO-022/42379539
The XLogP value of 3.1 indicates that AO-022/42379539 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42379539. Following Lipinski's Rule of Five, AO-022/42379539 has 1 hydrogen bond donor(s) and 8 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-022/42379539?
The CAS number of AO-022/42379539 is 627822-27-9.
What is the molecular formula of AO-022/42379539?
The molecular formula of AO-022/42379539 is C22H27N3O5S.
What is the molecular weight of AO-022/42379539?
The molecular weight of AO-022/42379539 is 445.17 g/mol.
Where can I buy AO-022/42379539?
You can request a quote for AO-022/42379539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42379539?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42379539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.