CAS RN: 4382-33-6
2,3-DIHYDROROBINETIN
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260127 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS4382-33-6
- Purity/Analytical Methods: >99.0%
4382-33-6 / 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
Basic Information
CAS
4382-33-6
Multi CAS
Yes
Molecular Formula
C15H12O7
Molecular Weight
304.250000
Exact Mass
304.058303
InChI
InChI=1S/C15H12O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,14-18,20-21H/t14-,15+/m0/s1
InChIKey
VSJCDPYIMBSOKN-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
0.9
Consensus LogP
1.05
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
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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