trans-p-Sinapoyl-beta-D-glucopyranoside
TL;DR: trans-p-Sinapoyl-beta-D-glucopyranoside (CAS 117405-52-4) is a chemical compound with molecular formula C17H22O10 and molecular weight 386.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
Also Known As: Sinapic acid O-glucoside, sinapic acid-glucoside, 4-O-beta-D-Glucosyl-sinapate, sinapoyl-4-O-beta-D-glucoside, 4'-O-Glucopyranosylsinapic acid
| Molecular Formula | C17H22O10 |
|---|---|
| Molecular Weight | 386.12 g/mol |
| LogP | -1.0197 |
| Topological Polar Surface Area | 155.14 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.1213 |
| Heavy Atoms | 27 |
| Complexity | 661.28687 |
Chemical Identifiers
| CAS Number | 117405-52-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)/C=C/C(=O)O |
Product Overview
trans-p-Sinapoyl-beta-D-glucopyranoside (CAS 117405-52-4), with molecular formula C17H22O10 and molecular weight 386.12 g/mol. IUPAC: (E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid.
Chemical Property Profile of trans-p-Sinapoyl-beta-D-glucopyranoside
Property Insights of trans-p-Sinapoyl-beta-D-glucopyranoside
The XLogP value of -1.0197 indicates that trans-p-Sinapoyl-beta-D-glucopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.14 Ų indicates high polarity, suggesting trans-p-Sinapoyl-beta-D-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, trans-p-Sinapoyl-beta-D-glucopyranoside has 5 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 trans-p-Sinapoyl-beta-D-glucopyranoside?
The CAS number of trans-p-Sinapoyl-beta-D-glucopyranoside is 117405-52-4.
What is the molecular formula of trans-p-Sinapoyl-beta-D-glucopyranoside?
The molecular formula of trans-p-Sinapoyl-beta-D-glucopyranoside is C17H22O10.
What is the molecular weight of trans-p-Sinapoyl-beta-D-glucopyranoside?
The molecular weight of trans-p-Sinapoyl-beta-D-glucopyranoside is 386.12 g/mol.
Where can I buy trans-p-Sinapoyl-beta-D-glucopyranoside?
You can request a quote for trans-p-Sinapoyl-beta-D-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-p-Sinapoyl-beta-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for trans-p-Sinapoyl-beta-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.