C20H18BrNO4S
TL;DR: C20H18BrNO4S (CAS 488101-11-7) is a chemical compound with molecular formula C20H18BrNO4S and molecular weight 447.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: (4E)-5-(4-bromophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]-1-(tetrahydrofuran-2-ylmethyl)pyrrolidine-2,3-dione, 2-(4-bromophenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 5-(4-bromophenyl)-3-hydroxy-1-((tetrahydrofuran-2-yl)methyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C20H18BrNO4S |
|---|---|
| Molecular Weight | 447.01 g/mol |
| LogP | 4.2679 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.01398 |
| Heavy Atoms | 27 |
| Complexity | 885.21533 |
Chemical Identifiers
| CAS Number | 488101-11-7 |
|---|---|
| SMILES | C1CC(OC1)CN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)Br |
Product Overview
C20H18BrNO4S (CAS 488101-11-7), with molecular formula C20H18BrNO4S and molecular weight 447.01 g/mol. IUPAC: 2-(4-bromophenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of C20H18BrNO4S
Property Insights of C20H18BrNO4S
The XLogP value of 4.2679 indicates that C20H18BrNO4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H18BrNO4S. Following Lipinski's Rule of Five, C20H18BrNO4S has 1 hydrogen bond donor(s) and 5 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 C20H18BrNO4S?
The CAS number of C20H18BrNO4S is 488101-11-7.
What is the molecular formula of C20H18BrNO4S?
The molecular formula of C20H18BrNO4S is C20H18BrNO4S.
What is the molecular weight of C20H18BrNO4S?
The molecular weight of C20H18BrNO4S is 447.01 g/mol.
Where can I buy C20H18BrNO4S?
You can request a quote for C20H18BrNO4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H18BrNO4S?
Yes, KEHONG BIO provides custom synthesis services for C20H18BrNO4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.