CAS RN: 1823931-45-8
(2-bromo-4-methylthiazol-5-yl)methanamine hydrobromide
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.20250112 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823931-45-8
- Purity/Analytical Methods: >99.0%
1823931-45-8 / (2-bromo-4-methyl-1,3-thiazol-5-yl)methanamine;hydrobromide
Basic Information
CAS
1823931-45-8
Multi CAS
No
Molecular Formula
C5H8Br2N2S
Molecular Weight
288.010000
Exact Mass
287.875450
SMILES
CC1=C(SC(=N1)Br)CN.Br
InChI
InChI=1S/C5H7BrN2S.BrH/c1-3-4(2-7)9-5(6)8-3;/h2,7H2,1H3;1H
InChIKey
DUUXZWNEEZFMMI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.76
TPSA
38.91
LogP / Solubility
WLOGP
2.25
MLOGP
1.99
XLogP3
2.25
Consensus LogP
2.16
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-2.88
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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