AB00804294-01
TL;DR: AB00804294-01 (CAS 618875-86-8) is a chemical compound with molecular formula C23H19ClN2O6 and molecular weight 454.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2,5-dimethoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Also Known As: AB00804294-01, (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(2,5-dimethoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2,5-dimethoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione, 4-(4-chlorobenzoyl)-5-(2,5-dimethoxyphenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one, 5-(2,5-dimethoxyphenyl)-4-[(4-chlorophenyl)carbonyl]-3-hydroxy-1-(5-methylisox azol-3-yl)-3-pyrrolin-2-one
| Molecular Formula | C23H19ClN2O6 |
|---|---|
| Molecular Weight | 454.09 g/mol |
| LogP | 4.27992 |
| Topological Polar Surface Area | 102.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.09317 |
| Heavy Atoms | 32 |
| Complexity | 1231.5386 |
Chemical Identifiers
| CAS Number | 618875-86-8 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C2=O)C4=C(C=CC(=C4)OC)OC |
Product Overview
AB00804294-01 (CAS 618875-86-8), with molecular formula C23H19ClN2O6 and molecular weight 454.09 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2,5-dimethoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of AB00804294-01
Property Insights of AB00804294-01
The XLogP value of 4.27992 indicates that AB00804294-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00804294-01. Following Lipinski's Rule of Five, AB00804294-01 has 1 hydrogen bond donor(s) and 7 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 AB00804294-01?
The CAS number of AB00804294-01 is 618875-86-8.
What is the molecular formula of AB00804294-01?
The molecular formula of AB00804294-01 is C23H19ClN2O6.
What is the molecular weight of AB00804294-01?
The molecular weight of AB00804294-01 is 454.09 g/mol.
Where can I buy AB00804294-01?
You can request a quote for AB00804294-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00804294-01?
Yes, KEHONG BIO provides custom synthesis services for AB00804294-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.