octanoyl-beta-D-glucuronide
TL;DR: octanoyl-beta-D-glucuronide (CAS 6639-02-7) is a chemical compound with molecular formula C14H24O8 and molecular weight 320.15 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-octanoyloxyoxane-2-carboxylic acid
Also Known As: Octanoylglucuronide, Octanoyl-beta-D-glucuronide, Octanoylglucuronoside, Octanoyl-beta-D-glucuronoside, Octanoyl-beta-delta-glucuronide
| Molecular Formula | C14H24O8 |
|---|---|
| Molecular Weight | 320.15 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 320.14713 |
| Heavy Atoms | 22 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 6639-02-7 |
|---|---|
| SMILES | CCCCCCCC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O |
| InChIKey | ASFORWUCPCKFPY-BYNIDDHOSA-N |
Product Overview
octanoyl-beta-D-glucuronide (CAS 6639-02-7), with molecular formula C14H24O8 and molecular weight 320.15 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-octanoyloxyoxane-2-carboxylic acid.
Chemical Property Profile of octanoyl-beta-D-glucuronide
Property Insights of octanoyl-beta-D-glucuronide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for octanoyl-beta-D-glucuronide. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for octanoyl-beta-D-glucuronide. Following Lipinski's Rule of Five, octanoyl-beta-D-glucuronide has 4 hydrogen bond donor(s) and 8 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 octanoyl-beta-D-glucuronide?
The CAS number of octanoyl-beta-D-glucuronide is 6639-02-7.
What is the molecular formula of octanoyl-beta-D-glucuronide?
The molecular formula of octanoyl-beta-D-glucuronide is C14H24O8.
What is the molecular weight of octanoyl-beta-D-glucuronide?
The molecular weight of octanoyl-beta-D-glucuronide is 320.15 g/mol.
Where can I buy octanoyl-beta-D-glucuronide?
You can request a quote for octanoyl-beta-D-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for octanoyl-beta-D-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for octanoyl-beta-D-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.