Methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate
TL;DR: Methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate (CAS 39847-89-7) is a chemical compound with molecular formula C9H8O5 and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-4-(furan-2-yl)-4-hydroxy-2-oxobut-3-enoate
Also Known As: TOS-BB-1267, Methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate, J2.750.903G, methyl (2Z)-4-(2-furyl)-2-hydroxy-4-oxobut-2-enoate, (z)-methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C9H8O5 |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 0.9206 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.03717 |
| Heavy Atoms | 14 |
| Complexity | 360.56384 |
Chemical Identifiers
| CAS Number | 39847-89-7 |
|---|---|
| SMILES | COC(=O)C(=O)/C=C(/C1=CC=CO1)\O |
Product Overview
Methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate (CAS 39847-89-7), with molecular formula C9H8O5 and molecular weight 196.04 g/mol. IUPAC: methyl (Z)-4-(furan-2-yl)-4-hydroxy-2-oxobut-3-enoate.
Chemical Property Profile of Methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate
Property Insights of Methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate
The XLogP value of 0.9206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate. Following Lipinski's Rule of Five, Methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate 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 Methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate?
The CAS number of Methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate is 39847-89-7.
What is the molecular formula of Methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate?
The molecular formula of Methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate is C9H8O5.
What is the molecular weight of Methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate?
The molecular weight of Methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate is 196.04 g/mol.
Where can I buy Methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate?
You can request a quote for Methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.