trans-4-Ethyltetrahydro-5-oxo-3-furoic acid
TL;DR: trans-4-Ethyltetrahydro-5-oxo-3-furoic acid (CAS 5444-76-8) is a chemical compound with molecular formula C7H10O4 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R)-4-ethyl-5-oxooxolane-3-carboxylic acid
Also Known As: KST-1A5792, EINECS 207-664-2, Benzaldehyde,2,4-dihydroxy-6-methyl, trans-4-Ethyltetrahydro-5-oxo-3-furoic acid, 4-Ethyl-5-oxooxolane-3-carboxylic acid
| Molecular Formula | C7H10O4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.0579 |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 5444-76-8 |
|---|---|
| SMILES | CC[C@@H]1[C@H](COC1=O)C(=O)O |
| InChIKey | ZJVCDGMQVPAOQV-UHNVWZDZSA-N |
Product Overview
trans-4-Ethyltetrahydro-5-oxo-3-furoic acid (CAS 5444-76-8), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: (3R,4R)-4-ethyl-5-oxooxolane-3-carboxylic acid.
Chemical Property Profile of trans-4-Ethyltetrahydro-5-oxo-3-furoic acid
Property Insights of trans-4-Ethyltetrahydro-5-oxo-3-furoic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-4-Ethyltetrahydro-5-oxo-3-furoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-4-Ethyltetrahydro-5-oxo-3-furoic acid. Following Lipinski's Rule of Five, trans-4-Ethyltetrahydro-5-oxo-3-furoic 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 trans-4-Ethyltetrahydro-5-oxo-3-furoic acid?
The CAS number of trans-4-Ethyltetrahydro-5-oxo-3-furoic acid is 5444-76-8.
What is the molecular formula of trans-4-Ethyltetrahydro-5-oxo-3-furoic acid?
The molecular formula of trans-4-Ethyltetrahydro-5-oxo-3-furoic acid is C7H10O4.
What is the molecular weight of trans-4-Ethyltetrahydro-5-oxo-3-furoic acid?
The molecular weight of trans-4-Ethyltetrahydro-5-oxo-3-furoic acid is 158.06 g/mol.
Where can I buy trans-4-Ethyltetrahydro-5-oxo-3-furoic acid?
You can request a quote for trans-4-Ethyltetrahydro-5-oxo-3-furoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-4-Ethyltetrahydro-5-oxo-3-furoic acid?
Yes, KEHONG BIO provides custom synthesis services for trans-4-Ethyltetrahydro-5-oxo-3-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.