BAS 02378551
TL;DR: BAS 02378551 (CAS 440096-61-7) is a chemical compound with molecular formula C13H12FNO4 and molecular weight 265.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one
Also Known As: BAS 02378551, 3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one, 4-Acetyl-5-(3-fluoro-phenyl)-3-hydroxy-1-hydroxymethyl-1,5-dihydro-pyrrol-2-one, 4-acetyl-5-(3-fluorophenyl)-3-hydroxy-1-(hydroxymethyl)-1,5-dihydro-2H-pyrrol-2-one, 4-acetyl-5-(3-fluorophenyl)-3-hydroxy-1-(hydroxymethyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C13H12FNO4 |
|---|---|
| Molecular Weight | 265.08 g/mol |
| LogP | 1.0599 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.07504 |
| Heavy Atoms | 19 |
| Complexity | 581.76086 |
Chemical Identifiers
| CAS Number | 440096-61-7 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)F)CO)O |
Product Overview
BAS 02378551 (CAS 440096-61-7), with molecular formula C13H12FNO4 and molecular weight 265.08 g/mol. IUPAC: 3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(hydroxymethyl)-2H-pyrrol-5-one.
Chemical Property Profile of BAS 02378551
Property Insights of BAS 02378551
The XLogP value of 1.0599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02378551. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02378551. Following Lipinski's Rule of Five, BAS 02378551 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 02378551?
The CAS number of BAS 02378551 is 440096-61-7.
What is the molecular formula of BAS 02378551?
The molecular formula of BAS 02378551 is C13H12FNO4.
What is the molecular weight of BAS 02378551?
The molecular weight of BAS 02378551 is 265.08 g/mol.
Where can I buy BAS 02378551?
You can request a quote for BAS 02378551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02378551?
Yes, KEHONG BIO provides custom synthesis services for BAS 02378551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.