(2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
TL;DR: (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid (CAS 218137-86-1) is a chemical compound with molecular formula C14H22O4 and molecular weight 254.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
Also Known As: (-)-trans-C75, ()-trans-C75, trans-C75, trans-C 75, (?)-trans-C75
| Molecular Formula | C14H22O4 |
|---|---|
| Molecular Weight | 254.15 g/mol |
| LogP | 2.9194 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 254.15181 |
| Heavy Atoms | 18 |
| Complexity | 321.75568 |
Chemical Identifiers
| CAS Number | 218137-86-1 |
|---|---|
| SMILES | CCCCCCCC[C@H]1[C@@H](C(=C)C(=O)O1)C(=O)O |
Product Overview
(2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid (CAS 218137-86-1), with molecular formula C14H22O4 and molecular weight 254.15 g/mol. IUPAC: (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid.
Chemical Property Profile of (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
Property Insights of (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
The XLogP value of 2.9194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid. Following Lipinski's Rule of Five, (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid?
The CAS number of (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid is 218137-86-1.
What is the molecular formula of (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid?
The molecular formula of (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid is C14H22O4.
What is the molecular weight of (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid?
The molecular weight of (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid is 254.15 g/mol.
Where can I buy (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid?
You can request a quote for (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.