CAS RN: 62949-79-5
KUWANONC
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250521 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250402 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250422 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250221 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250705 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250615 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS62949-79-5
- Purity/Analytical Methods: >99.0%
62949-79-5 / 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)chromen-4-one
Basic Information
CAS
62949-79-5
Multi CAS
No
Molecular Formula
C25H26O6
Molecular Weight
422.500000
Exact Mass
422.172939
InChI
InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
InChIKey
UWQYBLOHTQWSQD-UHFFFAOYSA-N
Physical Properties
Melting Point
148 - 150 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
4
Molar refractivity
120.85
TPSA
111.13
LogP / Solubility
WLOGP
5.3
MLOGP
4.69
XLogP3
6.2
Consensus LogP
5.4
Log S (ESOL)
-5.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.53
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
2.5
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