methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate
TL;DR: methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate (CAS 5238-33-5) is a chemical compound with molecular formula C11H9BrO4 and molecular weight 283.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate
Also Known As: 2-Pyridinecarbothioamide,N-butyl, BIM-0014861.P001, methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate, METHYL (E)-4-(4-BROMOPHENYL)-4-HYDROXY-2-OXO-BUT-3-ENOATE
| Molecular Formula | C11H9BrO4 |
|---|---|
| Molecular Weight | 283.97 g/mol |
| LogP | 2.0901 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.9684 |
| Heavy Atoms | 16 |
| Complexity | 433.8027 |
Chemical Identifiers
| CAS Number | 5238-33-5 |
|---|---|
| SMILES | COC(=O)C(=O)/C=C(\C1=CC=C(C=C1)Br)/O |
Product Overview
methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate (CAS 5238-33-5), with molecular formula C11H9BrO4 and molecular weight 283.97 g/mol. IUPAC: methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate.
Chemical Property Profile of methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate
Property Insights of methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate
The XLogP value of 2.0901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate. Following Lipinski's Rule of Five, methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate has 1 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 methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate?
The CAS number of methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate is 5238-33-5.
What is the molecular formula of methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate?
The molecular formula of methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate is C11H9BrO4.
What is the molecular weight of methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate?
The molecular weight of methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate is 283.97 g/mol.
Where can I buy methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate?
You can request a quote for methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (E)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.