3'-O-Demethylarctigenin
TL;DR: 3'-O-Demethylarctigenin (CAS 147022-95-5) is a chemical compound with molecular formula C20H22O6 and molecular weight 358.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R)-3-[(3,4-dihydroxyphenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
Also Known As: 3'-O-Demethylarctigenin, Arctigenin deriv., 3-O-Demethylarctigenin, Dibenzylbutyrolactone lignan, HY-N12989
| Molecular Formula | C20H22O6 |
|---|---|
| Molecular Weight | 358.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.14163 |
| Heavy Atoms | 26 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 147022-95-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O)O)OC |
| InChIKey | FTDOXLKYCKOSHA-LSDHHAIUSA-N |
Product Overview
3'-O-Demethylarctigenin (CAS 147022-95-5), with molecular formula C20H22O6 and molecular weight 358.14 g/mol. IUPAC: (3R,4R)-3-[(3,4-dihydroxyphenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one.
Chemical Property Profile of 3'-O-Demethylarctigenin
Property Insights of 3'-O-Demethylarctigenin
The XLogP value of 3.3 indicates that 3'-O-Demethylarctigenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-O-Demethylarctigenin. Following Lipinski's Rule of Five, 3'-O-Demethylarctigenin has 2 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 3'-O-Demethylarctigenin?
The CAS number of 3'-O-Demethylarctigenin is 147022-95-5.
What is the molecular formula of 3'-O-Demethylarctigenin?
The molecular formula of 3'-O-Demethylarctigenin is C20H22O6.
What is the molecular weight of 3'-O-Demethylarctigenin?
The molecular weight of 3'-O-Demethylarctigenin is 358.14 g/mol.
Where can I buy 3'-O-Demethylarctigenin?
You can request a quote for 3'-O-Demethylarctigenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-O-Demethylarctigenin?
Yes, KEHONG BIO provides custom synthesis services for 3'-O-Demethylarctigenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.