CAS RN: 65388-03-6
alpha-Isowighteone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260416 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS65388-03-6
- Purity/Analytical Methods: >99.0%
65388-03-6 / 5-hydroxy-9-(4-hydroxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
Basic Information
CAS
65388-03-6
Multi CAS
Yes
Molecular Formula
C20H18O5
Molecular Weight
338.400000
Exact Mass
338.115424
InChI
InChI=1S/C20H18O5/c1-20(2)8-7-13-15(22)9-16-17(19(13)25-20)18(23)14(10-24-16)11-3-5-12(21)6-4-11/h3-6,9-10,21-22H,7-8H2,1-2H3
InChIKey
DXGNQQLBHOTANA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
94.28
TPSA
79.9
LogP / Solubility
WLOGP
3.97
MLOGP
3.51
XLogP3
3.4
Consensus LogP
3.63
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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5-METHYL-2,3-DIHYDRO-ISOINDOL-1-ONE
- CAS RN: 65399-03-3
- Product Code: starshine_CAS65399-03-3
- Purity/Analytical method: >99.0%
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