Methyl 4-(4-methoxy-4-oxobutoxy)butanoate
TL;DR: Methyl 4-(4-methoxy-4-oxobutoxy)butanoate (CAS 5373-91-1) is a chemical compound with molecular formula C10H18O5 and molecular weight 218.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-methoxy-4-oxobutoxy)butanoate
Also Known As: Dimethyl 4,4'-oxydibutanoate, methyl 4-(4-methoxy-4-oxobutoxy)butanoate, 4,4 -Oxydibutyric acid dimethyl ester, Butanoic acid,4,4-oxybis-, dimethyl ester (9ci)
| Molecular Formula | C10H18O5 |
|---|---|
| Molecular Weight | 218.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 218.11542 |
| Heavy Atoms | 15 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 5373-91-1 |
|---|---|
| SMILES | COC(=O)CCCOCCCC(=O)OC |
| InChIKey | CXQDPEWAQYKXEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-(4-methoxy-4-oxobutoxy)butanoate (CAS 5373-91-1), with molecular formula C10H18O5 and molecular weight 218.12 g/mol. IUPAC: methyl 4-(4-methoxy-4-oxobutoxy)butanoate.
Chemical Property Profile of Methyl 4-(4-methoxy-4-oxobutoxy)butanoate
Property Insights of Methyl 4-(4-methoxy-4-oxobutoxy)butanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-methoxy-4-oxobutoxy)butanoate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(4-methoxy-4-oxobutoxy)butanoate. Following Lipinski's Rule of Five, Methyl 4-(4-methoxy-4-oxobutoxy)butanoate 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-(4-methoxy-4-oxobutoxy)butanoate?
The CAS number of Methyl 4-(4-methoxy-4-oxobutoxy)butanoate is 5373-91-1.
What is the molecular formula of Methyl 4-(4-methoxy-4-oxobutoxy)butanoate?
The molecular formula of Methyl 4-(4-methoxy-4-oxobutoxy)butanoate is C10H18O5.
What is the molecular weight of Methyl 4-(4-methoxy-4-oxobutoxy)butanoate?
The molecular weight of Methyl 4-(4-methoxy-4-oxobutoxy)butanoate is 218.12 g/mol.
Where can I buy Methyl 4-(4-methoxy-4-oxobutoxy)butanoate?
You can request a quote for Methyl 4-(4-methoxy-4-oxobutoxy)butanoate 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-methoxy-4-oxobutoxy)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-methoxy-4-oxobutoxy)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.