CAS RN: 1605304-56-0
“5,7,3′,4′-Tetrahydroxy-3-Methoxy-8-geranylflavone”
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.20251205 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1605304-56-0
- Purity/Analytical Methods: >99.0%
1605304-56-0 / 2-(3,4-dihydroxyphenyl)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-3-methoxychromen-4-one
Basic Information
CAS
1605304-56-0
Multi CAS
No
Molecular Formula
C26H28O7
Molecular Weight
452.500000
Exact Mass
452.183503
SMILES
CC(=CCC/C(=C/CC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)/C)C
InChI
InChI=1S/C26H28O7/c1-14(2)6-5-7-15(3)8-10-17-19(28)13-21(30)22-23(31)26(32-4)24(33-25(17)22)16-9-11-18(27)20(29)12-16/h6,8-9,11-13,27-30H,5,7,10H2,1-4H3/b15-8+
InChIKey
AHZUPZUDBQBABD-OVCLIPMQSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.27
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
4
Molar refractivity
127.26
TPSA
120.36
LogP / Solubility
WLOGP
5.53
MLOGP
4.89
XLogP3
6.3
Consensus LogP
5.57
Log S (ESOL)
-6.02
Class (ESOL)
Insoluble
Log S (Ali)
-7.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.03
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)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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