BAS 01029171
TL;DR: BAS 01029171 (CAS 333776-87-7) is a chemical compound with molecular formula C21H18FNO4 and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-fluorophenyl)-4-hydroxy-1-(2-hydroxyethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
Also Known As: BAS 01029171, 4-cinnamoyl-5-(2-fluorophenyl)-3-hydroxy-1-(2-hydroxyethyl)-1H-pyrrol-2(5H)-one, (4E)-5-(2-fluorophenyl)-1-(2-hydroxyethyl)-4-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]pyrrolidine-2,3-dione, 2-(2-fluorophenyl)-4-hydroxy-1-(2-hydroxyethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
| Molecular Formula | C21H18FNO4 |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 2.7959 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.12198 |
| Heavy Atoms | 27 |
| Complexity | 920.7887 |
Chemical Identifiers
| CAS Number | 333776-87-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)N(C2C3=CC=CC=C3F)CCO)O |
Product Overview
BAS 01029171 (CAS 333776-87-7), with molecular formula C21H18FNO4 and molecular weight 367.12 g/mol. IUPAC: 2-(2-fluorophenyl)-4-hydroxy-1-(2-hydroxyethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one.
Chemical Property Profile of BAS 01029171
Property Insights of BAS 01029171
The XLogP value of 2.7959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01029171. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01029171. Following Lipinski's Rule of Five, BAS 01029171 has 2 hydrogen bond donor(s) and 4 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 BAS 01029171?
The CAS number of BAS 01029171 is 333776-87-7.
What is the molecular formula of BAS 01029171?
The molecular formula of BAS 01029171 is C21H18FNO4.
What is the molecular weight of BAS 01029171?
The molecular weight of BAS 01029171 is 367.12 g/mol.
Where can I buy BAS 01029171?
You can request a quote for BAS 01029171 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01029171?
Yes, KEHONG BIO provides custom synthesis services for BAS 01029171 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.