Masoprocol
TL;DR: Masoprocol (CAS 27686-84-6) is a chemical compound with molecular formula C18H22O4 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2S,3R)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
Also Known As: Masoprocol, Actinex, meso-NDGA, Masoprocolum, NDGA
| Molecular Formula | C18H22O4 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.1518 |
| Heavy Atoms | 22 |
| Complexity | 303.0 |
| Melting Point | 185.5 |
| Solubility | 1.36e-02 g/L |
Chemical Identifiers
| CAS Number | 27686-84-6 |
|---|---|
| SMILES | C[C@H](CC1=CC(=C(C=C1)O)O)[C@@H](C)CC2=CC(=C(C=C2)O)O |
| InChIKey | HCZKYJDFEPMADG-TXEJJXNPSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Masoprocol (CAS 27686-84-6), with molecular formula C18H22O4 and molecular weight 302.15 g/mol. IUPAC: 4-[(2S,3R)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol.
Chemical Property Profile of Masoprocol
Property Insights of Masoprocol
The XLogP value of 4.3 indicates that Masoprocol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Masoprocol. Following Lipinski's Rule of Five, Masoprocol has 4 hydrogen bond donor(s) and 4 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 Masoprocol?
The CAS number of Masoprocol is 27686-84-6.
What is the molecular formula of Masoprocol?
The molecular formula of Masoprocol is C18H22O4.
What is the molecular weight of Masoprocol?
The molecular weight of Masoprocol is 302.15 g/mol.
Where can I buy Masoprocol?
You can request a quote for Masoprocol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Masoprocol?
Yes, KEHONG BIO provides custom synthesis services for Masoprocol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.