Methyl 4,4-dimethoxybutanoate
TL;DR: Methyl 4,4-dimethoxybutanoate (CAS 4220-66-0) is a chemical compound with molecular formula C7H14O4 and molecular weight 162.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,4-dimethoxybutanoate
Also Known As: methyl 4,4-dimethoxybutanoate, Methyl 4,4-dimethoxybutyrate, 4,4-Dimethoxybutanoic Acid Methyl Ester, methyl4,4-dimethoxybutanoate, methyl 4,4-dimethoxy-butyrate
| Molecular Formula | C7H14O4 |
|---|---|
| Molecular Weight | 162.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 162.0892 |
| Heavy Atoms | 11 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 4220-66-0 |
|---|---|
| SMILES | COC(CCC(=O)OC)OC |
| InChIKey | MMRXJPOAPCEDLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4,4-dimethoxybutanoate (CAS 4220-66-0), with molecular formula C7H14O4 and molecular weight 162.09 g/mol. IUPAC: methyl 4,4-dimethoxybutanoate.
Chemical Property Profile of Methyl 4,4-dimethoxybutanoate
Property Insights of Methyl 4,4-dimethoxybutanoate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,4-dimethoxybutanoate. With a topological polar surface area (TPSA) of 44.8 Ų, Methyl 4,4-dimethoxybutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4,4-dimethoxybutanoate 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-dimethoxybutanoate?
The CAS number of Methyl 4,4-dimethoxybutanoate is 4220-66-0.
What is the molecular formula of Methyl 4,4-dimethoxybutanoate?
The molecular formula of Methyl 4,4-dimethoxybutanoate is C7H14O4.
What is the molecular weight of Methyl 4,4-dimethoxybutanoate?
The molecular weight of Methyl 4,4-dimethoxybutanoate is 162.09 g/mol.
Where can I buy Methyl 4,4-dimethoxybutanoate?
You can request a quote for Methyl 4,4-dimethoxybutanoate 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-dimethoxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,4-dimethoxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.