CAS RN: 645414-25-1
Acantrifoside E
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.20260326 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS645414-25-1
- Purity/Analytical Methods: >99.0%
645414-25-1 / (2S,3R,4S,5S,6R)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
645414-25-1
Multi CAS
Yes
Molecular Formula
C17H24O8
Molecular Weight
356.400000
Exact Mass
356.147118
InChI
InChI=1S/C17H24O8/c1-4-5-9-6-10(22-2)16(11(7-9)23-3)25-17-15(21)14(20)13(19)12(8-18)24-17/h4-7,12-15,17-21H,8H2,1-3H3/b5-4+/t12-,13-,14+,15-,17+/m1/s1
InChIKey
ZDLGCAQIENQSSF-QIQYSRIJSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
4
Molar refractivity
88.65
TPSA
117.84
LogP / Solubility
WLOGP
-0.08
MLOGP
-0.06
XLogP3
-0.1
Consensus LogP
-0.08
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble
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
No
Log Kp (skin permeation)
-4.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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