CAS RN: 220088-42-6
BINUCLEINE 2
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.20260408 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS220088-42-6
- Purity/Analytical Methods: >99.0%
220088-42-6 / N'-[1-(3-chloro-4-fluorophenyl)-4-cyanopyrazol-5-yl]-N,N-dimethylmethanimidamide
Basic Information
CAS
220088-42-6
Multi CAS
No
Molecular Formula
C13H11ClFN5
Molecular Weight
291.710000
Exact Mass
291.068701
SMILES
CN(C)/C=N/C1=C(C=NN1C2=CC(=C(C=C2)F)Cl)C#N
InChI
InChI=1S/C13H11ClFN5/c1-19(2)8-17-13-9(6-16)7-18-20(13)10-3-4-12(15)11(14)5-10/h3-5,7-8H,1-2H3/b17-8+
InChIKey
MNCYLHJHZOUDLB-CAOOACKPSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
75.09
TPSA
57.21
LogP / Solubility
WLOGP
2.76
MLOGP
2.44
XLogP3
2.3
Consensus LogP
2.5
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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