Methyl 4-(4-methoxyphenyl)-4-oxobutanoate
TL;DR: Methyl 4-(4-methoxyphenyl)-4-oxobutanoate (CAS 6308-29-8) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-methoxyphenyl)-4-oxobutanoate
Also Known As: methyl 4-(4-methoxyphenyl)-4-oxobutanoate, NCIOpen2_003278, Methyl 4-(4-methoxyphenyl)-4-oxobutyrate, methyl 4-(4-methoxyphenyl)-4-oxo-butanoate, methyl4-(4-methoxyphenyl)-4-oxobutanoate
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 6308-29-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CCC(=O)OC |
| InChIKey | VMGCRNNKDBFNLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-(4-methoxyphenyl)-4-oxobutanoate (CAS 6308-29-8), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: methyl 4-(4-methoxyphenyl)-4-oxobutanoate.
Chemical Property Profile of Methyl 4-(4-methoxyphenyl)-4-oxobutanoate
Property Insights of Methyl 4-(4-methoxyphenyl)-4-oxobutanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-methoxyphenyl)-4-oxobutanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 4-(4-methoxyphenyl)-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(4-methoxyphenyl)-4-oxobutanoate has 0 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 4-(4-methoxyphenyl)-4-oxobutanoate?
The CAS number of Methyl 4-(4-methoxyphenyl)-4-oxobutanoate is 6308-29-8.
What is the molecular formula of Methyl 4-(4-methoxyphenyl)-4-oxobutanoate?
The molecular formula of Methyl 4-(4-methoxyphenyl)-4-oxobutanoate is C12H14O4.
What is the molecular weight of Methyl 4-(4-methoxyphenyl)-4-oxobutanoate?
The molecular weight of Methyl 4-(4-methoxyphenyl)-4-oxobutanoate is 222.09 g/mol.
Where can I buy Methyl 4-(4-methoxyphenyl)-4-oxobutanoate?
You can request a quote for Methyl 4-(4-methoxyphenyl)-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-(4-methoxyphenyl)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-methoxyphenyl)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.