CAS RN: 77263-11-7
5,7-Dihydroxy-2-(4-hydroxy-3,5-bis(3-methyl-2-butenyl)phenyl)-2,3-dihy dro-4H-chromen-4-one
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.20260515 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS77263-11-7
- Purity/Analytical Methods: >99.0%
77263-11-7 / 5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Basic Information
CAS
77263-11-7
Multi CAS
Yes
Molecular Formula
C25H28O5
Molecular Weight
408.500000
Exact Mass
408.193674
InChI
InChI=1S/C25H28O5/c1-14(2)5-7-16-9-18(10-17(25(16)29)8-6-15(3)4)22-13-21(28)24-20(27)11-19(26)12-23(24)30-22/h5-6,9-12,22,26-27,29H,7-8,13H2,1-4H3/t22-/m0/s1
InChIKey
LQHKFMYWTKORCE-QFIPXVFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
116.46
TPSA
86.99
LogP / Solubility
WLOGP
5.53
MLOGP
4.89
XLogP3
6.2
Consensus LogP
5.54
Log S (ESOL)
-5.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.5
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.29
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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