CAS RN: 65428-13-9
1-methoxyphaseollidin
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251218 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS65428-13-9
- Purity/Analytical Methods: >99.0%
65428-13-9 / (6aR,11aR)-1-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Basic Information
CAS
65428-13-9
Multi CAS
Yes
Molecular Formula
C21H22O5
Molecular Weight
354.400000
Exact Mass
354.146724
InChI
InChI=1S/C21H22O5/c1-11(2)4-5-14-16(23)7-6-13-15-10-25-18-9-12(22)8-17(24-3)19(18)21(15)26-20(13)14/h4,6-9,15,21-23H,5,10H2,1-3H3/t15-,21+/m0/s1
InChIKey
YKTZRMXYANFKQR-YCRPNKLZSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
97.51
TPSA
68.15
LogP / Solubility
WLOGP
4.22
MLOGP
3.74
XLogP3
4.2
Consensus LogP
4.05
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.88
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
4
Customers Also Viewed
-
FLUTICASONE PROPIONATE, 17-BETA CARBOXYLIC ACID
- CAS RN: 65429-42-7
- Product Code: starshine_CAS65429-42-7
- Purity/Analytical method: >99.0%
-
-
Ethanone, 2-bromo-1-(1-methyl-1H-pyrrol-2-yl)- (9CI)
- CAS RN: 65438-97-3
- Product Code: SSC-175100
-
2-Phenyl-1-(2-thioxo-3-thiazolidinyl)ethanone
- CAS RN: 65439-58-9
- Product Code: SSC-175102
-
-
