3,4-Dimethoxydalbergione
TL;DR: 3,4-Dimethoxydalbergione (CAS 3755-64-4) is a chemical compound with molecular formula C17H16O4 and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethoxy-5-[(1R)-1-phenylprop-2-enyl]cyclohexa-2,5-diene-1,4-dione
Also Known As: 3,4-Dimethoxydalbergione, (R)-3,4-Dimethoxydalbergione, 3,4-Dimethoxydalbergion, Spectrum2_000304, Spectrum4_001593
| Molecular Formula | C17H16O4 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.10486 |
| Heavy Atoms | 21 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 3755-64-4 |
|---|---|
| SMILES | COC1=C(C(=O)C(=CC1=O)[C@H](C=C)C2=CC=CC=C2)OC |
| InChIKey | LJEJBLOFFDLRIH-GFCCVEGCSA-N |
Product Overview
3,4-Dimethoxydalbergione (CAS 3755-64-4), with molecular formula C17H16O4 and molecular weight 284.10 g/mol. IUPAC: 2,3-dimethoxy-5-[(1R)-1-phenylprop-2-enyl]cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 3,4-Dimethoxydalbergione
Property Insights of 3,4-Dimethoxydalbergione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethoxydalbergione. With a topological polar surface area (TPSA) of 52.6 Ų, 3,4-Dimethoxydalbergione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethoxydalbergione has 0 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 3,4-Dimethoxydalbergione?
The CAS number of 3,4-Dimethoxydalbergione is 3755-64-4.
What is the molecular formula of 3,4-Dimethoxydalbergione?
The molecular formula of 3,4-Dimethoxydalbergione is C17H16O4.
What is the molecular weight of 3,4-Dimethoxydalbergione?
The molecular weight of 3,4-Dimethoxydalbergione is 284.10 g/mol.
Where can I buy 3,4-Dimethoxydalbergione?
You can request a quote for 3,4-Dimethoxydalbergione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethoxydalbergione?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethoxydalbergione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.