CAS RN: 726-18-1
4,4-DIMETHOXYDIPHENYLMETHANE
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS726-18-1
- Purity/Analytical Methods: >99.0%
726-18-1 / 1-methoxy-3-[(3-methoxyphenyl)methyl]benzene
Basic Information
CAS
726-18-1
Multi CAS
Yes
Molecular Formula
C15H16O2
Molecular Weight
228.290000
Exact Mass
228.115030
InChI
InChI=1S/C15H16O2/c1-16-14-7-3-5-12(10-14)9-13-6-4-8-15(11-13)17-2/h3-8,10-11H,9H2,1-2H3
InChIKey
MMTMYZRSBUVGOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
68.79
TPSA
18.46
LogP / Solubility
WLOGP
3.29
MLOGP
2.9
XLogP3
3.8
Consensus LogP
3.33
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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COENZYME Q1
- CAS RN: 727-81-1
- Product Code: starshine_CAS727-81-1
- Purity/Analytical method: >99.0%
