CAS RN: 864719-17-5
SequoseMpervirin B
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.20250105 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS864719-17-5
- Purity/Analytical Methods: >99.0%
864719-17-5 / (E,2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)pent-4-ene-1,2-diol
Basic Information
CAS
864719-17-5
Multi CAS
Yes
Molecular Formula
C18H20O5
Molecular Weight
316.300000
Exact Mass
316.131074
InChI
InChI=1S/C18H20O5/c1-23-18-10-13(5-9-16(18)21)15(17(22)11-19)8-4-12-2-6-14(20)7-3-12/h2-10,15,17,19-22H,11H2,1H3/b8-4+/t15-,17+/m0/s1
InChIKey
JRWXFOFDIRHTQG-GRNKITJOSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
4
Molar refractivity
87.63
TPSA
90.15
LogP / Solubility
WLOGP
2.26
MLOGP
2
XLogP3
2.2
Consensus LogP
2.15
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
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
No
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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