CAS RN: 80366-15-0
4H-1-Benzopyran-4-one, 2-(2,6-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihy droxy-, (2R,3R)-
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250301 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS80366-15-0
- Purity/Analytical Methods: >99.0%
80366-15-0 / (2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
Basic Information
CAS
80366-15-0
Multi CAS
Yes
Molecular Formula
C15H12O7
Molecular Weight
304.250000
Exact Mass
304.058303
InChI
InChI=1S/C15H12O7/c16-6-4-9(19)12-10(5-6)22-15(14(21)13(12)20)11-7(17)2-1-3-8(11)18/h1-5,14-19,21H/t14-,15+/m0/s1
InChIKey
NBQYBZYBTNQEQG-LSDHHAIUSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
5
Molar refractivity
73.25
TPSA
127.45
LogP / Solubility
WLOGP
1.19
MLOGP
1.06
XLogP3
1.5
Consensus LogP
1.25
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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![CAS 80381-63-1 3-AMINO-2,5,6-TRIMETHYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/80381-63-1.gif)
