Di-O-methyl-isolariciresinol
TL;DR: Di-O-methyl-isolariciresinol (CAS 4676-53-3) is a chemical compound with molecular formula C22H28O6 and molecular weight 388.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
Also Known As: Di-O-methyl-isolariciresinol, KST-1A5749, [1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2,3-diyl]dimethanol, 2,3-Naphthalenedimethanol,1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-, [4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxy-1,2
| Molecular Formula | C22H28O6 |
|---|---|
| Molecular Weight | 388.19 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.1886 |
| Heavy Atoms | 28 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 4676-53-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C(C(CC3=CC(=C(C=C23)OC)OC)CO)CO)OC |
| InChIKey | LTMZRNBMJLXRNY-UHFFFAOYSA-N |
Product Overview
Di-O-methyl-isolariciresinol (CAS 4676-53-3), with molecular formula C22H28O6 and molecular weight 388.19 g/mol. IUPAC: [4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol.
Chemical Property Profile of Di-O-methyl-isolariciresinol
Property Insights of Di-O-methyl-isolariciresinol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Di-O-methyl-isolariciresinol. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Di-O-methyl-isolariciresinol. Following Lipinski's Rule of Five, Di-O-methyl-isolariciresinol 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 Di-O-methyl-isolariciresinol?
The CAS number of Di-O-methyl-isolariciresinol is 4676-53-3.
What is the molecular formula of Di-O-methyl-isolariciresinol?
The molecular formula of Di-O-methyl-isolariciresinol is C22H28O6.
What is the molecular weight of Di-O-methyl-isolariciresinol?
The molecular weight of Di-O-methyl-isolariciresinol is 388.19 g/mol.
Where can I buy Di-O-methyl-isolariciresinol?
You can request a quote for Di-O-methyl-isolariciresinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-O-methyl-isolariciresinol?
Yes, KEHONG BIO provides custom synthesis services for Di-O-methyl-isolariciresinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.