ethyl (6E)-farnesoate
TL;DR: ethyl (6E)-farnesoate (CAS 38507-80-1) is a chemical compound with molecular formula C11H14NO7S- and molecular weight 304.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(1-oxido-2H-pyridin-6-yl)sulfanyl]oxane-2-carboxylic acid
Also Known As: ethyl (6E)-farnesoate, 2-Pyridinehiol 1-oxide glucuronide, 6-(Hexopyranuronosylthio)pyridin-1(2H)-olate, 6-(, A-d-glucopyranuronosylthio)pyridin-1(2h)-olate
| Molecular Formula | C11H14NO7S- |
|---|---|
| Molecular Weight | 304.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.0491 |
| Heavy Atoms | 20 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 38507-80-1 |
|---|---|
| SMILES | C1C=CC=C(N1[O-])S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | RNCPPZVWYCPYEB-UBVHSMIISA-N |
Product Overview
ethyl (6E)-farnesoate (CAS 38507-80-1), with molecular formula C11H14NO7S- and molecular weight 304.05 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(1-oxido-2H-pyridin-6-yl)sulfanyl]oxane-2-carboxylic acid.
Chemical Property Profile of ethyl (6E)-farnesoate
Property Insights of ethyl (6E)-farnesoate
The XLogP value of -0.5 indicates that ethyl (6E)-farnesoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.0 Ų indicates high polarity, suggesting ethyl (6E)-farnesoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl (6E)-farnesoate has 4 hydrogen bond donor(s) and 9 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 ethyl (6E)-farnesoate?
The CAS number of ethyl (6E)-farnesoate is 38507-80-1.
What is the molecular formula of ethyl (6E)-farnesoate?
The molecular formula of ethyl (6E)-farnesoate is C11H14NO7S-.
What is the molecular weight of ethyl (6E)-farnesoate?
The molecular weight of ethyl (6E)-farnesoate is 304.05 g/mol.
Where can I buy ethyl (6E)-farnesoate?
You can request a quote for ethyl (6E)-farnesoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (6E)-farnesoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (6E)-farnesoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.