CAS RN: 66322-34-7
Dihydroguaiaretic acid
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS66322-34-7
- Purity/Analytical Methods: >99.0%
66322-34-7 / 4-[4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
Basic Information
CAS
66322-34-7
Multi CAS
Yes
Molecular Formula
C20H26O4
Molecular Weight
330.400000
Exact Mass
330.183109
InChI
InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3
InChIKey
ADFOLUXMYYCTRR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
95.05
TPSA
58.92
LogP / Solubility
WLOGP
4.17
MLOGP
3.69
XLogP3
5
Consensus LogP
4.29
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.11
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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