CAS RN: 222723-55-9
NOLADIN ETHER
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250304 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS222723-55-9
- Purity/Analytical Methods: >99.0%
222723-55-9 / 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]propane-1,3-diol
Basic Information
CAS
222723-55-9
Multi CAS
No
Molecular Formula
C23H40O3
Molecular Weight
364.600000
Exact Mass
364.297745
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO
InChI
InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKey
CUJUUWXZAQHCNC-DOFZRALJSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.65
Rotatable bonds
18
H-bond acceptors
3
H-bond donors
2
Molar refractivity
112.32
TPSA
49.69
LogP / Solubility
WLOGP
5.5
MLOGP
4.86
XLogP3
5.7
Consensus LogP
5.35
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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