CAS RN: 480-17-1
LEUCOCYANIDIN POLYMER
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS480-17-1
- Purity/Analytical Methods: >99.0%
480-17-1 / 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol
Basic Information
CAS
480-17-1
Multi CAS
Yes
Molecular Formula
C15H14O7
Molecular Weight
306.270000
Exact Mass
306.073953
InChI
InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H
InChIKey
SBZWTSHAFILOTE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
6
Molar refractivity
73.88
TPSA
130.61
LogP / Solubility
WLOGP
1.04
MLOGP
0.93
XLogP3
-0.8
Consensus LogP
0.39
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4
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