![CAS 852291-41-9 4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-amine dihydrobromide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/852291-41-9.gif)
CAS RN: 852291-41-9
4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-amine dihydrobromide
- Product code: SSC-193500
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
852291-41-9 / 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrobromide
Basic Information
CAS
852291-41-9
Multi CAS
No
Molecular Formula
C7H13BR2N3S
Molecular Weight
331.070000
Exact Mass
330.917640
InChI
InChI=1S/C7H11N3S.2BrH/c1-10-3-2-5-6(4-10)11-7(8)9-5;;/h2-4H2,1H3,(H2,8,9);2*1H
InChIKey
ZZGWAKWQAAQNLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.57
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.21
TPSA
42.15
LogP / Solubility
WLOGP
1.87
MLOGP
1.66
XLogP3
1.87
Consensus LogP
1.8
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-3.41
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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