![CAS 2006277-10-5 Butyl 2-Amino-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2006277-10-5.png)
CAS RN: 2006277-10-5
Butyl 2-Amino-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-5-carboxylate
- Product code: SSC-094467
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 | Shenzhen | Inquiry |
2006277-10-5 / butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
Basic Information
CAS
2006277-10-5
Multi CAS
No
Molecular Formula
C11H17N3O2S
Molecular Weight
255.340000
Exact Mass
255.104148
SMILES
CCCCOC(=O)N1CCC2=C(C1)SC(=N2)N
InChI
InChI=1S/C11H17N3O2S/c1-2-3-6-16-11(15)14-5-4-8-9(7-14)17-10(12)13-8/h2-7H2,1H3,(H2,12,13)
InChIKey
KQPBZFOVYALJNN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
66.9
TPSA
68.45
LogP / Solubility
WLOGP
2.02
MLOGP
1.78
XLogP3
1.7
Consensus LogP
1.83
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
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)
-2.84
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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