CAS RN: 31721-94-5
5,7-dihydroxychromone
Product Availability
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7 package records6 with current stock3 grade groups
- Product code: starshine_CAS31721-94-5
- Purity/Analytical Methods: >99.0%
31721-94-5 / 5,7-dihydroxychromen-4-one
Basic Information
CAS
31721-94-5
Multi CAS
Yes
Molecular Formula
C9H6O4
Molecular Weight
178.140000
Exact Mass
178.026609
InChI
InChI=1S/C9H6O4/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5/h1-4,10,12H
InChIKey
NYCXYKOXLNBYID-UHFFFAOYSA-N
Physical Properties
Melting Point
272 - 273 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
45.81
TPSA
70.67
LogP / Solubility
WLOGP
1.2
MLOGP
1.06
XLogP3
1.4
Consensus LogP
1.22
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS31721-95-6
- Purity/Analytical method: >99.0%
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