Thujaplicatin methyl ether
TL;DR: Thujaplicatin methyl ether (CAS 7338-38-7) is a chemical compound with molecular formula C21H24O7 and molecular weight 388.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Also Known As: Thujaplicatin methyl ether, 3-O-Methylthujaplicatin, (-)-thujaplicatintrimethyl ether, J1.790.162A, (3S,4S)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
| Molecular Formula | C21H24O7 |
|---|---|
| Molecular Weight | 388.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.1522 |
| Heavy Atoms | 28 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 7338-38-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)C[C@H]2[C@@H](COC2=O)CC3=CC(=C(C=C3)O)OC |
| InChIKey | XMLWGUKRPGLJGA-CABCVRRESA-N |
Product Overview
Thujaplicatin methyl ether (CAS 7338-38-7), with molecular formula C21H24O7 and molecular weight 388.15 g/mol. IUPAC: (3S,4S)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one.
Chemical Property Profile of Thujaplicatin methyl ether
Property Insights of Thujaplicatin methyl ether
The XLogP value of 3.2 indicates that Thujaplicatin methyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Thujaplicatin methyl ether. Following Lipinski's Rule of Five, Thujaplicatin methyl ether has 2 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 Thujaplicatin methyl ether?
The CAS number of Thujaplicatin methyl ether is 7338-38-7.
What is the molecular formula of Thujaplicatin methyl ether?
The molecular formula of Thujaplicatin methyl ether is C21H24O7.
What is the molecular weight of Thujaplicatin methyl ether?
The molecular weight of Thujaplicatin methyl ether is 388.15 g/mol.
Where can I buy Thujaplicatin methyl ether?
You can request a quote for Thujaplicatin methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thujaplicatin methyl ether?
Yes, KEHONG BIO provides custom synthesis services for Thujaplicatin methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.