CAS RN: 1839150-63-8
EB-3D
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12 package records11 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250213 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260629 | 25mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250403 | 100mg | In stock | Shenzhen | Inquiry | |
| Batchno.20250413 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250110 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260521 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250707 | 50mg | In stock | Shenzhen | Inquiry | |
| Batchno.20260614 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1839150-63-8
- Purity/Analytical Methods: >99.0%
1839150-63-8 / 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethylpyridin-1-ium-4-amine dibromide
Basic Information
CAS
1839150-63-8
Multi CAS
No
Molecular Formula
C30H36Br2N4O2
Molecular Weight
644.400000
Exact Mass
644.118450
SMILES
CN(C)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)OCCOC3=CC=C(C=C3)C[N+]4=CC=C(C=C4)N(C)C.[Br-].[Br-]
InChI
InChI=1S/C30H36N4O2.2BrH/c1-31(2)27-13-17-33(18-14-27)23-25-5-9-29(10-6-25)35-21-22-36-30-11-7-26(8-12-30)24-34-19-15-28(16-20-34)32(3)4;;/h5-20H,21-24H2,1-4H3;2*1H/q+2;;/p-2
InChIKey
SCXVGPSPZQBBDM-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
24
Fraction Csp3
0.27
Rotatable bonds
11
H-bond acceptors
4
Molar refractivity
144.01
TPSA
32.7
LogP / Solubility
WLOGP
-2.04
MLOGP
-1.75
XLogP3
-2.04
Consensus LogP
-1.94
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble
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
No
Log Kp (skin permeation)
-8.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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