O-Methylodoratol
TL;DR: O-Methylodoratol (CAS 94943-13-2) is a chemical compound with molecular formula C18H20O5 and molecular weight 316.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dimethoxyphenyl)-2-hydroxy-3-(4-methoxyphenyl)propan-1-one
Also Known As: O-Methylodoratol, Methylodoratol, 2'-O-Methylodoratol, 2 -O-Methylodoratol, Odoratol-2 -methyl ether
| Molecular Formula | C18H20O5 |
|---|---|
| Molecular Weight | 316.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.13107 |
| Heavy Atoms | 23 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 94943-13-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC(C(=O)C2=C(C=C(C=C2)OC)OC)O |
| InChIKey | PQWHNGRYDDJGPN-UHFFFAOYSA-N |
Product Overview
O-Methylodoratol (CAS 94943-13-2), with molecular formula C18H20O5 and molecular weight 316.13 g/mol. IUPAC: 1-(2,4-dimethoxyphenyl)-2-hydroxy-3-(4-methoxyphenyl)propan-1-one.
Chemical Property Profile of O-Methylodoratol
Property Insights of O-Methylodoratol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Methylodoratol. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Methylodoratol. Following Lipinski's Rule of Five, O-Methylodoratol has 1 hydrogen bond donor(s) and 5 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 O-Methylodoratol?
The CAS number of O-Methylodoratol is 94943-13-2.
What is the molecular formula of O-Methylodoratol?
The molecular formula of O-Methylodoratol is C18H20O5.
What is the molecular weight of O-Methylodoratol?
The molecular weight of O-Methylodoratol is 316.13 g/mol.
Where can I buy O-Methylodoratol?
You can request a quote for O-Methylodoratol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Methylodoratol?
Yes, KEHONG BIO provides custom synthesis services for O-Methylodoratol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.