CAS RN: 552-58-9
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15 package records13 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
| Batchno.20250920 |
100mg |
In stock |
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| Batchno.20250905 |
10mg |
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| Batchno.20250217 |
250mg |
Out of stock |
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| Batchno.20250209 |
50mg |
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| Batch No. | Package | Availability | Warehouse | Inquiry |
| Batchno.20260520 |
1ml |
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| Batch No. | Package | Availability | Warehouse | Inquiry |
| Batchno.20260105 |
100mg |
In stock |
Shanghai | Inquiry |
| Batchno.20251215 |
10mg |
In stock |
Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
| Batchno.20250722 |
1g |
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| Batchno.20260207 |
1g |
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| Batchno.20250427 |
1mg |
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| Batchno.20250324 |
250mg |
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| Batchno.20260322 |
250mg |
In stock |
Shanghai, Shandong, Guangdong | Inquiry |
| Batchno.20251219 |
25mg |
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Shanghai | Inquiry |
| Batchno.20260419 |
50mg |
In stock |
Shanghai | Inquiry |
| Batchno.20250718 |
50mg |
In stock |
Shanghai, Shandong | Inquiry |
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Product code:
starshine_CAS552-58-9
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Purity/Analytical Methods:
>99.0%
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552-58-9 / 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
Standard CAS: 552-58-9
Multi CAS: Yes
Basic Information
CAS
552-58-9
Multi CAS
Yes
Molecular Formula
C15H12O6
Molecular Weight
288.250000
Exact Mass
288.063388
InChI
InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2
InChIKey
SBHXYTNGIZCORC-UHFFFAOYSA-N
Physical Properties
Physical Description
Slightly beige solid; Bland aroma
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
4
Molar refractivity
71.86
TPSA
107.22
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
2
Consensus LogP
2.06
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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)
-2.91
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