ChemDiv1_027911
TL;DR: ChemDiv1_027911 (CAS 309738-22-5) is a chemical compound with molecular formula C27H22BrNO6 and molecular weight 535.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3E)-2-(4-bromophenyl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: ChemDiv1_027911, BAS 01029179, ethyl 4-(2-(4-bromophenyl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate, ethyl 4-[(3E)-2-(4-bromophenyl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate
| Molecular Formula | C27H22BrNO6 |
|---|---|
| Molecular Weight | 535.06 g/mol |
| LogP | 5.2607 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 535.06305 |
| Heavy Atoms | 35 |
| Complexity | 1297.0079 |
Chemical Identifiers
| CAS Number | 309738-22-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(/C(=C(/C3=CC=C(C=C3)OC)\O)/C(=O)C2=O)C4=CC=C(C=C4)Br |
Product Overview
ChemDiv1_027911 (CAS 309738-22-5), with molecular formula C27H22BrNO6 and molecular weight 535.06 g/mol. IUPAC: ethyl 4-[(3E)-2-(4-bromophenyl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of ChemDiv1_027911
Property Insights of ChemDiv1_027911
The XLogP value of 5.2607 indicates that ChemDiv1_027911 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027911. Following Lipinski's Rule of Five, ChemDiv1_027911 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_027911?
The CAS number of ChemDiv1_027911 is 309738-22-5.
What is the molecular formula of ChemDiv1_027911?
The molecular formula of ChemDiv1_027911 is C27H22BrNO6.
What is the molecular weight of ChemDiv1_027911?
The molecular weight of ChemDiv1_027911 is 535.06 g/mol.
Where can I buy ChemDiv1_027911?
You can request a quote for ChemDiv1_027911 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027911?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027911 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.