CAS RN: 1268140-15-3
5,7,3′-Trihydroxy-4′-Methoxy-8-prenylflavanone
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.20250825 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1268140-15-3
- Purity/Analytical Methods: >99.0%
1268140-15-3 / 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Basic Information
CAS
1268140-15-3
Multi CAS
No
Molecular Formula
C21H22O6
Molecular Weight
370.400000
Exact Mass
370.141638
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC(=C(C=C3)OC)O)C
InChI
InChI=1S/C21H22O6/c1-11(2)4-6-13-14(22)9-16(24)20-17(25)10-19(27-21(13)20)12-5-7-18(26-3)15(23)8-12/h4-5,7-9,19,22-24H,6,10H2,1-3H3
InChIKey
MDRKJMLXLVCUIU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
3
Molar refractivity
99.88
TPSA
96.22
LogP / Solubility
WLOGP
4.03
MLOGP
3.56
XLogP3
4.3
Consensus LogP
3.96
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble
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)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1268169-10-3 Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine, N,N-bis[(1R)-1-(4-methoxyphenyl)ethyl]-, (11bR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1268169-10-3.gif)