CAS RN: 73354-15-1
9-O-Acetyl-4,4′-di-O-methyllariciresil
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS73354-15-1
- Purity/Analytical Methods: >99.0%
73354-15-1 / [(2S,3R,4R)-2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl acetate
Basic Information
CAS
73354-15-1
Multi CAS
Yes
Molecular Formula
C24H30O7
Molecular Weight
430.500000
Exact Mass
430.199153
InChI
InChI=1S/C24H30O7/c1-15(25)30-14-19-18(10-16-6-8-20(26-2)22(11-16)28-4)13-31-24(19)17-7-9-21(27-3)23(12-17)29-5/h6-9,11-12,18-19,24H,10,13-14H2,1-5H3/t18-,19-,24+/m0/s1
InChIKey
PPIRSWOCXJSZIK-AXHZCLLHSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
9
H-bond acceptors
7
Molar refractivity
115.1
TPSA
72.45
LogP / Solubility
WLOGP
3.83
MLOGP
3.4
XLogP3
3.6
Consensus LogP
3.61
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.72
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
Yes
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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