CAS RN: 121927-91-1
Sophoraflavanone C
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.20260211 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS121927-91-1
- Purity/Analytical Methods: >99.0%
121927-91-1 / (2S)-2-(2,4-dihydroxyphenyl)-8-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
Basic Information
CAS
121927-91-1
Multi CAS
No
Molecular Formula
C25H28O6
Molecular Weight
424.500000
Exact Mass
424.188589
SMILES
CC(=CCC/C(=C\CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=C(C=C(C=C3)O)O)/C)C
InChI
InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-18-20(28)12-21(29)24-22(30)13-23(31-25(18)24)17-10-8-16(26)11-19(17)27/h5,7-8,10-12,23,26-29H,4,6,9,13H2,1-3H3/b15-7-/t23-/m0/s1
InChIKey
QTEIROMZFSIGNG-HGNLGIJWSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
117.99
TPSA
107.22
LogP / Solubility
WLOGP
5.45
MLOGP
4.82
XLogP3
5.8
Consensus LogP
5.36
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.66
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)
-1.44
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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