methyl 4-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate
TL;DR: methyl 4-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate (CAS 425650-76-6) is a chemical compound with molecular formula C22H22O7 and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]benzoate
Also Known As: methyl 4-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate, methyl 4-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]benzoate, methyl 4-{5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-furyl}benzoate, methyl 4-{5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate
| Molecular Formula | C22H22O7 |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 4.123 |
| Topological Polar Surface Area | 92.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.13657 |
| Heavy Atoms | 29 |
| Complexity | 929.79535 |
Chemical Identifiers
| CAS Number | 425650-76-6 |
|---|---|
| SMILES | CCCCC1(OC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC)C(=O)O1)C |
Product Overview
methyl 4-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate (CAS 425650-76-6), with molecular formula C22H22O7 and molecular weight 398.14 g/mol. IUPAC: methyl 4-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]benzoate.
Chemical Property Profile of methyl 4-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate
Property Insights of methyl 4-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate
The XLogP value of 4.123 indicates that methyl 4-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.04 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate has 0 hydrogen bond donor(s) and 7 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-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate?
The CAS number of methyl 4-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate is 425650-76-6.
What is the molecular formula of methyl 4-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate?
The molecular formula of methyl 4-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate is C22H22O7.
What is the molecular weight of methyl 4-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate?
The molecular weight of methyl 4-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate is 398.14 g/mol.
Where can I buy methyl 4-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate?
You can request a quote for methyl 4-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.