3,4-O-dimethylcedrusin
TL;DR: 3,4-O-dimethylcedrusin (CAS 166021-14-3) is a chemical compound with molecular formula C21H26O6 and molecular weight 374.17294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol
Also Known As: 3,4-O-dimethylcedrusin, NCI60_026523, NCI60_026522, J2.830.257F, 3-[2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol
Technical Specifications
| Molecular Formula | C21H26O6 |
| Molecular Weight | 374.17294 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 77.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 374.17294 Da |
| Heavy Atoms | 27 |
| Complexity | 446.0 |
| SMILES | COC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)CCCO)OC)CO)OC |
| InChIKey | UVPCDEDIFJYIPT-UHFFFAOYSA-N |
Chemical Property Profile of 3,4-O-dimethylcedrusin
Property Insights of 3,4-O-dimethylcedrusin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-O-dimethylcedrusin. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-O-dimethylcedrusin. Following Lipinski's Rule of Five, 3,4-O-dimethylcedrusin 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
What is the CAS number of 3,4-O-dimethylcedrusin?
The CAS number of 3,4-O-dimethylcedrusin is 166021-14-3.
What is the molecular formula of 3,4-O-dimethylcedrusin?
The molecular formula of 3,4-O-dimethylcedrusin is C21H26O6.
What is the molecular weight of 3,4-O-dimethylcedrusin?
The molecular weight of 3,4-O-dimethylcedrusin is 374.17294 g/mol.
Where can I buy 3,4-O-dimethylcedrusin?
You can request a quote for 3,4-O-dimethylcedrusin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-O-dimethylcedrusin?
Yes, CoreyChem provides custom synthesis services for 3,4-O-dimethylcedrusin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.