Ethchlorvynol glucuronide
TL;DR: Ethchlorvynol glucuronide (CAS 56050-11-4) is a chemical compound with molecular formula C13H17ClO7 and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[(E)-1-chloro-3-ethylpent-1-en-4-yn-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Ethchlorvynol glucuronide, Ethchlorvynol C-glucuronide, (2S,3S,4S,5R,6S)-6-[(E)-1-chloro-3-ethylpent-1-en-4-yn-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, beta-D-Glucopyranosiduronic acid, 3-chloro-1-ethyl-1-ethynyl-2-propenyl, RefChem:138376
| Molecular Formula | C13H17ClO7 |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | -0.5703 |
| Topological Polar Surface Area | 116.45 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.06628 |
| Heavy Atoms | 21 |
| Complexity | 446.29095 |
Chemical Identifiers
| CAS Number | 56050-11-4 |
|---|---|
| SMILES | CCC(/C=C/Cl)(C#C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O |
Product Overview
Ethchlorvynol glucuronide (CAS 56050-11-4), with molecular formula C13H17ClO7 and molecular weight 320.07 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[(E)-1-chloro-3-ethylpent-1-en-4-yn-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Ethchlorvynol glucuronide
Property Insights of Ethchlorvynol glucuronide
The XLogP value of -0.5703 indicates that Ethchlorvynol glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethchlorvynol glucuronide. Following Lipinski's Rule of Five, Ethchlorvynol glucuronide has 4 hydrogen bond donor(s) and 6 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 Ethchlorvynol glucuronide?
The CAS number of Ethchlorvynol glucuronide is 56050-11-4.
What is the molecular formula of Ethchlorvynol glucuronide?
The molecular formula of Ethchlorvynol glucuronide is C13H17ClO7.
What is the molecular weight of Ethchlorvynol glucuronide?
The molecular weight of Ethchlorvynol glucuronide is 320.07 g/mol.
Where can I buy Ethchlorvynol glucuronide?
You can request a quote for Ethchlorvynol glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethchlorvynol glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Ethchlorvynol glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.