BAS 00898790
TL;DR: BAS 00898790 (CAS 332065-87-9) is a chemical compound with molecular formula C25H18FNO5 and molecular weight 431.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3E)-2-(2-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoic acid
Also Known As: BAS 00898790, 3-(2-(2-fluorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid, 3-[(3E)-2-(2-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoic acid, 3-[2-(2-fluorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid, 3-{(3E)-2-(2-fluorophenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}benzoic acid
| Molecular Formula | C25H18FNO5 |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 4.45862 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.1169 |
| Heavy Atoms | 32 |
| Complexity | 1279.4996 |
Chemical Identifiers
| CAS Number | 332065-87-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4F)/O |
Product Overview
BAS 00898790 (CAS 332065-87-9), with molecular formula C25H18FNO5 and molecular weight 431.12 g/mol. IUPAC: 3-[(3E)-2-(2-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of BAS 00898790
Property Insights of BAS 00898790
The XLogP value of 4.45862 indicates that BAS 00898790 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00898790. Following Lipinski's Rule of Five, BAS 00898790 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 00898790?
The CAS number of BAS 00898790 is 332065-87-9.
What is the molecular formula of BAS 00898790?
The molecular formula of BAS 00898790 is C25H18FNO5.
What is the molecular weight of BAS 00898790?
The molecular weight of BAS 00898790 is 431.12 g/mol.
Where can I buy BAS 00898790?
You can request a quote for BAS 00898790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00898790?
Yes, KEHONG BIO provides custom synthesis services for BAS 00898790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.