Fumaryl monodibromoaspirin
TL;DR: Fumaryl monodibromoaspirin (CAS 93705-06-7) is a chemical compound with molecular formula C11H8Br2O5 and molecular weight 377.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(3,5-dibromo-2-hydroxyphenyl)methoxy]-4-oxobut-2-enoic acid
Also Known As: Fumaryl monodibromoaspirin, 3,5-Dbsf, Fmda-3,5, Mono(3,5-dibromosalicyl)fumarate, starbld0031810
| Molecular Formula | C11H8Br2O5 |
|---|---|
| Molecular Weight | 377.87 g/mol |
| LogP | 2.6012 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.87384 |
| Heavy Atoms | 18 |
| Complexity | 510.40018 |
Chemical Identifiers
| CAS Number | 93705-06-7 |
|---|---|
| SMILES | C1=C(C=C(C(=C1COC(=O)/C=C/C(=O)O)O)Br)Br |
Product Overview
Fumaryl monodibromoaspirin (CAS 93705-06-7), with molecular formula C11H8Br2O5 and molecular weight 377.87 g/mol. IUPAC: (E)-4-[(3,5-dibromo-2-hydroxyphenyl)methoxy]-4-oxobut-2-enoic acid.
Chemical Property Profile of Fumaryl monodibromoaspirin
Property Insights of Fumaryl monodibromoaspirin
The XLogP value of 2.6012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fumaryl monodibromoaspirin. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Fumaryl monodibromoaspirin. Following Lipinski's Rule of Five, Fumaryl monodibromoaspirin 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 Fumaryl monodibromoaspirin?
The CAS number of Fumaryl monodibromoaspirin is 93705-06-7.
What is the molecular formula of Fumaryl monodibromoaspirin?
The molecular formula of Fumaryl monodibromoaspirin is C11H8Br2O5.
What is the molecular weight of Fumaryl monodibromoaspirin?
The molecular weight of Fumaryl monodibromoaspirin is 377.87 g/mol.
Where can I buy Fumaryl monodibromoaspirin?
You can request a quote for Fumaryl monodibromoaspirin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fumaryl monodibromoaspirin?
Yes, KEHONG BIO provides custom synthesis services for Fumaryl monodibromoaspirin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.