CAS RN: 147340-43-0
MHP 133
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.20260217 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS147340-43-0
- Purity/Analytical Methods: >99.0%
147340-43-0 / [1-methyl-2-[(E)-(phenylcarbamoylhydrazinylidene)methyl]pyridin-1-ium-3-yl] N,N-dimethylcarbamate chloride
Basic Information
CAS
147340-43-0
Multi CAS
No
Molecular Formula
C17H20ClN5O3
Molecular Weight
377.800000
Exact Mass
377.125467
SMILES
C[N+]1=CC=CC(=C1/C=N/NC(=O)NC2=CC=CC=C2)OC(=O)N(C)C.[Cl-]
InChI
InChI=1S/C17H19N5O3.ClH/c1-21(2)17(24)25-15-10-7-11-22(3)14(15)12-18-20-16(23)19-13-8-5-4-6-9-13;/h4-12H,1-3H3,(H,19,23);1H
InChIKey
MCOVMZDBWGMPGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
93.52
TPSA
86.91
LogP / Solubility
WLOGP
-1.27
MLOGP
-1.1
XLogP3
-1.27
Consensus LogP
-1.21
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
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)
-5.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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