![CAS 165948-24-3 TERT-BUTYL 6,7-DIHYDROTHIAZOLO[5,4-C]PYRIDINE-5(4H)-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/165948-24-3.gif)
CAS RN: 165948-24-3
TERT-BUTYL 6,7-DIHYDROTHIAZOLO[5,4-C]PYRIDINE-5(4H)-CARBOXYLATE
- Product code: SSC-072470
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 | Shanghai | Inquiry |
165948-24-3 / tert-butyl 6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
Basic Information
CAS
165948-24-3
Multi CAS
No
Molecular Formula
C11H16N2O2S
Molecular Weight
240.320000
Exact Mass
240.093249
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)SC=N2
InChI
InChI=1S/C11H16N2O2S/c1-11(2,3)15-10(14)13-5-4-8-9(6-13)16-7-12-8/h7H,4-6H2,1-3H3
InChIKey
AUHQOOIWUXNGES-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
62.46
TPSA
42.43
LogP / Solubility
WLOGP
2.44
MLOGP
2.15
XLogP3
1.7
Consensus LogP
2.1
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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