BAS 00898793
TL;DR: BAS 00898793 (CAS 332065-90-4) is a chemical compound with molecular formula C27H22BrNO5 and molecular weight 519.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3E)-2-(4-bromophenyl)-3-[hydroxy-(2,4,6-trimethylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoic acid
Also Known As: BAS 00898793, 3-(2-(4-bromophenyl)-4-hydroxy-5-oxo-3-(2,4,6-trimethylbenzoyl)-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid, 3-[(3E)-2-(4-bromophenyl)-3-[hydroxy-(2,4,6-trimethylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoic acid, 3-[2-(4-bromophenyl)-4-hydroxy-3-(mesitylcarbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid, 3-{(3E)-2-(4-bromophenyl)-3-[hydroxy(2,4,6-trimethylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}benzoic acid
| Molecular Formula | C27H22BrNO5 |
|---|---|
| Molecular Weight | 519.07 g/mol |
| LogP | 5.69886 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 519.0681 |
| Heavy Atoms | 34 |
| Complexity | 1351.0178 |
Chemical Identifiers
| CAS Number | 332065-90-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC(=C3)C(=O)O)C4=CC=C(C=C4)Br)/O)C |
Product Overview
BAS 00898793 (CAS 332065-90-4), with molecular formula C27H22BrNO5 and molecular weight 519.07 g/mol. IUPAC: 3-[(3E)-2-(4-bromophenyl)-3-[hydroxy-(2,4,6-trimethylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of BAS 00898793
Property Insights of BAS 00898793
The XLogP value of 5.69886 indicates that BAS 00898793 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 00898793. Following Lipinski's Rule of Five, BAS 00898793 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00898793?
The CAS number of BAS 00898793 is 332065-90-4.
What is the molecular formula of BAS 00898793?
The molecular formula of BAS 00898793 is C27H22BrNO5.
What is the molecular weight of BAS 00898793?
The molecular weight of BAS 00898793 is 519.07 g/mol.
Where can I buy BAS 00898793?
You can request a quote for BAS 00898793 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00898793?
Yes, KEHONG BIO provides custom synthesis services for BAS 00898793 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.