Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate
TL;DR: Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate (CAS 1086-77-7) is a chemical compound with molecular formula C13H16O5 and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate
Also Known As: methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate, starbld0011526, AB01326403-02, methyl 4-(2,5-dimethoxyphenyl)-4-oxo-butanoate
| Molecular Formula | C13H16O5 |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 1.8397 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.09978 |
| Heavy Atoms | 18 |
| Complexity | 439.00778 |
Chemical Identifiers
| CAS Number | 1086-77-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C(=O)CCC(=O)OC |
Product Overview
Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate (CAS 1086-77-7), with molecular formula C13H16O5 and molecular weight 252.10 g/mol. IUPAC: methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate.
Chemical Property Profile of Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate
Property Insights of Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate
The XLogP value of 1.8397 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate. Following Lipinski's Rule of Five, Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate has 0 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-(2,5-dimethoxyphenyl)-4-oxobutanoate?
The CAS number of Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate is 1086-77-7.
What is the molecular formula of Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate?
The molecular formula of Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate is C13H16O5.
What is the molecular weight of Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate?
The molecular weight of Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate is 252.10 g/mol.
Where can I buy Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate?
You can request a quote for Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.