CAS RN: 4449-55-2
warangalone
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.20251006 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS4449-55-2
- Purity/Analytical Methods: >99.0%
4449-55-2 / 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
Basic Information
CAS
4449-55-2
Multi CAS
Yes
Molecular Formula
C25H24O5
Molecular Weight
404.500000
Exact Mass
404.162374
InChI
InChI=1S/C25H24O5/c1-14(2)5-10-18-23-17(11-12-25(3,4)30-23)21(27)20-22(28)19(13-29-24(18)20)15-6-8-16(26)9-7-15/h5-9,11-13,26-27H,10H2,1-4H3
InChIKey
HGHOPAZIUPORIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
118.13
TPSA
79.9
LogP / Solubility
WLOGP
5.56
MLOGP
4.92
XLogP3
5.9
Consensus LogP
5.46
Log S (ESOL)
-6.05
Class (ESOL)
Insoluble
Log S (Ali)
-6.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.27
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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