Arctiin
TL;DR: Arctiin (CAS 20362-31-6) is a chemical compound with molecular formula C27H34O11 and molecular weight 534.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
Also Known As: Arctiin, Arctigenin-4-glucoside, (-)-Arctiin, Arctii, arctiin(8ci)
| Molecular Formula | C27H34O11 |
|---|---|
| Molecular Weight | 534.21 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 534.2101 |
| Heavy Atoms | 38 |
| Complexity | 753.0 |
Chemical Identifiers
| CAS Number | 20362-31-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)OC |
| InChIKey | XOJVHLIYNSOZOO-SWOBOCGESA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Arctiin (CAS 20362-31-6), with molecular formula C27H34O11 and molecular weight 534.21 g/mol. IUPAC: (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one.
Chemical Property Profile of Arctiin
Property Insights of Arctiin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Arctiin. The TPSA of 153.0 Ų indicates high polarity, suggesting Arctiin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Arctiin has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Arctiin?
The CAS number of Arctiin is 20362-31-6.
What is the molecular formula of Arctiin?
The molecular formula of Arctiin is C27H34O11.
What is the molecular weight of Arctiin?
The molecular weight of Arctiin is 534.21 g/mol.
Where can I buy Arctiin?
You can request a quote for Arctiin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arctiin?
Yes, KEHONG BIO provides custom synthesis services for Arctiin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.