CAS RN: 142457-00-9
AMTHAMINE DIHYDROBROMIDE
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260628 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260307 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250413 | 25mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260412 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251122 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS142457-00-9
- Purity/Analytical Methods: >99.0%
142457-00-9 / 5-(2-aminoethyl)-4-methyl-1,3-thiazol-2-amine;dihydrobromide
Basic Information
CAS
142457-00-9
Multi CAS
No
Molecular Formula
C6H13Br2N3S
Molecular Weight
319.060000
Exact Mass
318.917640
SMILES
CC1=C(SC(=N1)N)CCN.Br.Br
InChI
InChI=1S/C6H11N3S.2BrH/c1-4-5(2-3-7)10-6(8)9-4;;/h2-3,7H2,1H3,(H2,8,9);2*1H
InChIKey
XFXNNOPUDSFVJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.67
TPSA
64.93
LogP / Solubility
WLOGP
1.69
MLOGP
1.5
XLogP3
1.69
Consensus LogP
1.63
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
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)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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