CAS RN: 84294-87-1
6,7-Dimethoxy-2-phenethylchromone
Product Availability
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5 package records0 with current stock1 grade group
- Product code: starshine_CAS84294-87-1
- Purity/Analytical Methods: >99.0%
84294-87-1 / 6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one
Basic Information
CAS
84294-87-1
Multi CAS
No
Molecular Formula
C19H18O4
Molecular Weight
310.300000
Exact Mass
310.120509
InChI
InChI=1S/C19H18O4/c1-21-18-11-15-16(20)10-14(23-17(15)12-19(18)22-2)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3
InChIKey
MVQOWXHYPYRBOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
89.44
TPSA
48.67
LogP / Solubility
WLOGP
3.6
MLOGP
3.18
XLogP3
3.7
Consensus LogP
3.49
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
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
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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