3'-Demethoxy-6-O-demethylisoguaiacin
TL;DR: 3'-Demethoxy-6-O-demethylisoguaiacin (CAS 71113-16-1) is a chemical compound with molecular formula C18H20O3 and molecular weight 284.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol
Also Known As: 3'-Demethoxy-6-O-demethylisoguaiacin, 3 -Demethoxy-6-O-demethylisoguaiacin, J2.105.128D, (5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol, (1R,2R,3R)-1-(4-hydroxyphenyl)-2,3-dimethyl-tetralin-6,7-diol
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 3.7636 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.14124 |
| Heavy Atoms | 21 |
| Complexity | 660.9088 |
Chemical Identifiers
| CAS Number | 71113-16-1 |
|---|---|
| SMILES | C[C@@H]1CC2=CC(=C(C=C2[C@H]([C@@H]1C)C3=CC=C(C=C3)O)O)O |
Product Overview
3'-Demethoxy-6-O-demethylisoguaiacin (CAS 71113-16-1), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: (5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol.
Chemical Property Profile of 3'-Demethoxy-6-O-demethylisoguaiacin
Property Insights of 3'-Demethoxy-6-O-demethylisoguaiacin
The XLogP value of 3.7636 indicates that 3'-Demethoxy-6-O-demethylisoguaiacin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Demethoxy-6-O-demethylisoguaiacin. Following Lipinski's Rule of Five, 3'-Demethoxy-6-O-demethylisoguaiacin has 3 hydrogen bond donor(s) and 3 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'-Demethoxy-6-O-demethylisoguaiacin?
The CAS number of 3'-Demethoxy-6-O-demethylisoguaiacin is 71113-16-1.
What is the molecular formula of 3'-Demethoxy-6-O-demethylisoguaiacin?
The molecular formula of 3'-Demethoxy-6-O-demethylisoguaiacin is C18H20O3.
What is the molecular weight of 3'-Demethoxy-6-O-demethylisoguaiacin?
The molecular weight of 3'-Demethoxy-6-O-demethylisoguaiacin is 284.14 g/mol.
Where can I buy 3'-Demethoxy-6-O-demethylisoguaiacin?
You can request a quote for 3'-Demethoxy-6-O-demethylisoguaiacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Demethoxy-6-O-demethylisoguaiacin?
Yes, KEHONG BIO provides custom synthesis services for 3'-Demethoxy-6-O-demethylisoguaiacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.