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CAS 67560-68-3 Lariciresil dimethyl ether molecular structure lightbox
CAS RN: 67560-68-3

Lariciresil dimethyl ether

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Batchno.20250903 5mg Out of stock Inquiry
  • Product code: starshine_CAS67560-68-3
  • Purity/Analytical Methods: >99.0%
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67560-68-3 / [(2S,3R,4R)-2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methanol

Standard CAS: 67560-68-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67560-68-3
Multi CAS
Yes
Molecular Formula
C22H28O6
Molecular Weight
388.500000
Exact Mass
388.188589
InChI
InChI=1S/C22H28O6/c1-24-18-7-5-14(10-20(18)26-3)9-16-13-28-22(17(16)12-23)15-6-8-19(25-2)21(11-15)27-4/h5-8,10-11,16-17,22-23H,9,12-13H2,1-4H3/t16-,17-,22+/m0/s1
InChIKey
AYWPHVUFQNWITL-PNLZDCPESA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
1
Molar refractivity
105.55
TPSA
66.38

LogP / Solubility

WLOGP
3.26
MLOGP
2.89
XLogP3
3.1
Consensus LogP
3.08
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78

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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