CAS RN: 474945-22-7
12:0 EPC (Cl Salt)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251108 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS474945-22-7
- Purity/Analytical Methods: >99.0%
474945-22-7 / 2-[[(2R)-2,3-di(dodecanoyloxy)propoxy]-ethoxyphosphoryl]oxyethyl-trimethylazanium chloride
Basic Information
CAS
474945-22-7
Multi CAS
Yes
Molecular Formula
C34H69CLNO8P
Molecular Weight
686.300000
Exact Mass
685.444933
InChI
InChI=1S/C34H69NO8P.ClH/c1-7-10-12-14-16-18-20-22-24-26-33(36)39-30-32(31-42-44(38,40-9-3)41-29-28-35(4,5)6)43-34(37)27-25-23-21-19-17-15-13-11-8-2;/h32H,7-31H2,1-6H3;1H/q+1;/p-1/t32-,44?;/m1./s1
InChIKey
QWVQEMZYQQUQCH-XFSYIJCRSA-M
Computed Properties
Structural Parameters
Heavy atom count
45
Fraction Csp3
0.94
Rotatable bonds
32
H-bond acceptors
8
Molar refractivity
178.56
TPSA
97.36
LogP / Solubility
WLOGP
6.17
MLOGP
5.49
XLogP3
6.17
Consensus LogP
5.94
Log S (ESOL)
-5.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-9.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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