Justiciresinol
TL;DR: Justiciresinol (CAS 136051-41-7) is a chemical compound with molecular formula C21H26O7 and molecular weight 390.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenol
Also Known As: Justiciresinol, Jusglaucinol, (+)-Justiciresinol, J2.540.194H, 2-(4-Hydroxy-3-methoxyphenyl)-4-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-tetrahydrofuran-3-methanol
| Molecular Formula | C21H26O7 |
|---|---|
| Molecular Weight | 390.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.16785 |
| Heavy Atoms | 28 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 136051-41-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)C[C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC |
| InChIKey | LNRXVGSOOWBFAI-VFCRVFHLSA-N |
Product Overview
Justiciresinol (CAS 136051-41-7), with molecular formula C21H26O7 and molecular weight 390.17 g/mol. IUPAC: 4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenol.
Chemical Property Profile of Justiciresinol
Property Insights of Justiciresinol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Justiciresinol. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Justiciresinol. Following Lipinski's Rule of Five, Justiciresinol has 3 hydrogen bond donor(s) and 7 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 Justiciresinol?
The CAS number of Justiciresinol is 136051-41-7.
What is the molecular formula of Justiciresinol?
The molecular formula of Justiciresinol is C21H26O7.
What is the molecular weight of Justiciresinol?
The molecular weight of Justiciresinol is 390.17 g/mol.
Where can I buy Justiciresinol?
You can request a quote for Justiciresinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Justiciresinol?
Yes, KEHONG BIO provides custom synthesis services for Justiciresinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.