CAS RN: 210700-64-4
N,N-diethyl-2-((6-methylpyridin-2-yl)methylene)hydrazinecarbothioamide
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.20250906 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS210700-64-4
- Purity/Analytical Methods: >99.0%
210700-64-4 / 1,1-diethyl-3-[(6-methyl-2-pyridinyl)methylideneamino]thiourea
Basic Information
CAS
210700-64-4
Multi CAS
No
Molecular Formula
C12H18N4S
Molecular Weight
250.370000
Exact Mass
250.125218
SMILES
CCN(CC)C(=S)NN=CC1=CC=CC(=N1)C
InChI
InChI=1S/C12H18N4S/c1-4-16(5-2)12(17)15-13-9-11-8-6-7-10(3)14-11/h6-9H,4-5H2,1-3H3,(H,15,17)/b13-9+
InChIKey
AXTATRPIRYPVLG-UKTHLTGXSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.22
TPSA
40.52
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
2.2
Consensus LogP
1.95
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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