CAS RN: 864719-19-7
SequoseMpervirin D
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.20250118 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS864719-19-7
- Purity/Analytical Methods: >99.0%
864719-19-7 / 4-[(E,1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(4-hydroxyphenyl)prop-2-enyl]-2-methoxyphenol
Basic Information
CAS
864719-19-7
Multi CAS
Yes
Molecular Formula
C21H24O5
Molecular Weight
356.400000
Exact Mass
356.162374
InChI
InChI=1S/C21H24O5/c1-21(2)25-13-20(26-21)17(10-6-14-4-8-16(22)9-5-14)15-7-11-18(23)19(12-15)24-3/h4-12,17,20,22-23H,13H2,1-3H3/b10-6+/t17-,20+/m0/s1
InChIKey
UFTSEQNPKRKIAA-IDGDSFQDSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
99.44
TPSA
68.15
LogP / Solubility
WLOGP
4.05
MLOGP
3.59
XLogP3
3.8
Consensus LogP
3.81
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.94
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)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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