CAS RN: 1507370-40-2
N,N′-Bis-(4-thiazol-2-yl-benzyl)-ethane-1,2-diamine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260417 | 25mg / 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1507370-40-2
- Purity/Analytical Methods: >99.0%
1507370-40-2 / N,N'-bis[[4-(1,3-thiazol-2-yl)phenyl]methyl]ethane-1,2-diamine
Basic Information
CAS
1507370-40-2
Multi CAS
No
Molecular Formula
C22H22N4S2
Molecular Weight
406.600000
Exact Mass
406.128589
SMILES
C1=CC(=CC=C1CNCCNCC2=CC=C(C=C2)C3=NC=CS3)C4=NC=CS4
InChI
InChI=1S/C22H22N4S2/c1-5-19(21-25-11-13-27-21)6-2-17(1)15-23-9-10-24-16-18-3-7-20(8-4-18)22-26-12-14-28-22/h1-8,11-14,23-24H,9-10,15-16H2
InChIKey
FRTSLZJCGAFSET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
22
Fraction Csp3
0.18
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
2
Molar refractivity
118.51
TPSA
49.84
LogP / Solubility
WLOGP
4.81
MLOGP
4.26
XLogP3
3.7
Consensus LogP
4.26
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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