4,4-Diethoxybutanoic acid
TL;DR: 4,4-Diethoxybutanoic acid (CAS 19207-52-4) is a chemical compound with molecular formula C8H16O4 and molecular weight 176.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-diethoxybutanoic acid
Also Known As: 4,4-diethoxybutanoic acid, 4,4-diethoxy-butanoic acid
| Molecular Formula | C8H16O4 |
|---|---|
| Molecular Weight | 176.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 176.10486 |
| Heavy Atoms | 12 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 19207-52-4 |
|---|---|
| SMILES | CCOC(CCC(=O)O)OCC |
| InChIKey | CSORCORNHIFYTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Diethoxybutanoic acid (CAS 19207-52-4), with molecular formula C8H16O4 and molecular weight 176.10 g/mol. IUPAC: 4,4-diethoxybutanoic acid.
Chemical Property Profile of 4,4-Diethoxybutanoic acid
Property Insights of 4,4-Diethoxybutanoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Diethoxybutanoic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 4,4-Diethoxybutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Diethoxybutanoic acid has 1 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 4,4-Diethoxybutanoic acid?
The CAS number of 4,4-Diethoxybutanoic acid is 19207-52-4.
What is the molecular formula of 4,4-Diethoxybutanoic acid?
The molecular formula of 4,4-Diethoxybutanoic acid is C8H16O4.
What is the molecular weight of 4,4-Diethoxybutanoic acid?
The molecular weight of 4,4-Diethoxybutanoic acid is 176.10 g/mol.
Where can I buy 4,4-Diethoxybutanoic acid?
You can request a quote for 4,4-Diethoxybutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Diethoxybutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Diethoxybutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.