CAS RN: 773850-90-1
Drimiopsin C
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS773850-90-1
- Purity/Analytical Methods: >99.0%
773850-90-1 / 1,3,6-trihydroxy-2-methoxy-8-methylxanthen-9-one
Basic Information
CAS
773850-90-1
Multi CAS
No
Molecular Formula
C15H12O6
Molecular Weight
288.250000
Exact Mass
288.063388
InChI
InChI=1S/C15H12O6/c1-6-3-7(16)4-9-11(6)13(18)12-10(21-9)5-8(17)15(20-2)14(12)19/h3-5,16-17,19H,1-2H3
InChIKey
IMMSZLMLFUYPBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
14
Fraction Csp3
0.13
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
3
Molar refractivity
76.27
TPSA
100.13
LogP / Solubility
WLOGP
2.38
MLOGP
2.11
XLogP3
2.8
Consensus LogP
2.43
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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- CAS RN: 773868-89-6
- Product Code: starshine_CAS773868-89-6
- Purity/Analytical method: >99.0%
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