CAS RN: 97399-96-7
cynatratoside A
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.20250317 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS97399-96-7
- Purity/Analytical Methods: >99.0%
97399-96-7 / 8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
Basic Information
CAS
97399-96-7
Multi CAS
Yes
Molecular Formula
C28H40O8
Molecular Weight
504.600000
Exact Mass
504.272318
InChI
InChI=1S/C28H40O8/c1-15-25(29)21(31-4)12-23(34-15)35-18-9-10-27(2)17(11-18)6-7-19-20(27)8-5-16-13-32-28(3)24(16)22(14-33-28)36-26(19)30/h6,13,15,18-25,29H,5,7-12,14H2,1-4H3
InChIKey
QANVGLGBLJFUIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
0.82
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
1
Molar refractivity
128.4
TPSA
92.68
LogP / Solubility
WLOGP
3.62
MLOGP
3.22
XLogP3
2.5
Consensus LogP
3.11
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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