3',4-O-Dimethylcedrusin
TL;DR: 3',4-O-Dimethylcedrusin (CAS 1271799-88-2) is a chemical compound with molecular formula C21H26O6 and molecular weight 374.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,3R)-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, 3,4-O-dimethylcedrusin, 3'',4-O-Dimethylcedrusin, 3/',4-O-Dimethylcedrusin, 4-O-Methyldihydrodehydrodiconiferyl alcohol
| Molecular Formula | C21H26O6 |
|---|---|
| Molecular Weight | 374.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 374.17294 |
| Heavy Atoms | 27 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 1271799-88-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[C@@H]2[C@H](C3=C(O2)C(=CC(=C3)CCCO)OC)CO)OC |
| InChIKey | UVPCDEDIFJYIPT-OXJNMPFZSA-N |
Product Overview
3',4-O-Dimethylcedrusin (CAS 1271799-88-2), with molecular formula C21H26O6 and molecular weight 374.17 g/mol. IUPAC: 3-[(2S,3R)-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol.
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
Frequently Asked Questions
What is the CAS number of 3',4-O-Dimethylcedrusin?
The CAS number of 3',4-O-Dimethylcedrusin is 1271799-88-2.
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 374.17 g/mol.
Where can I buy 3',4-O-Dimethylcedrusin?
You can request a quote for 3',4-O-Dimethylcedrusin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',4-O-Dimethylcedrusin?
Yes, KEHONG BIO provides custom synthesis services for 3',4-O-Dimethylcedrusin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.