![CAS 2178986-14-4 Thiazolo[5,4-b]pyridine-6-carboxylic acid, 7-chloro-2-methyl-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2178986-14-4.png)
CAS RN: 2178986-14-4
Thiazolo[5,4-b]pyridine-6-carboxylic acid, 7-chloro-2-methyl-, ethyl ester
- Product code: SSC-105146
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 |
2178986-14-4 / ethyl 7-chloro-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate
Basic Information
CAS
2178986-14-4
Multi CAS
No
Molecular Formula
C10H9ClN2O2S
Molecular Weight
256.710000
Exact Mass
256.007326
SMILES
CCOC(=O)C1=CN=C2C(=C1Cl)N=C(S2)C
InChI
InChI=1S/C10H9ClN2O2S/c1-3-15-10(14)6-4-12-9-8(7(6)11)13-5(2)16-9/h4H,3H2,1-2H3
InChIKey
RJGKWWLEAAHPHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
63.12
TPSA
52.08
LogP / Solubility
WLOGP
2.83
MLOGP
2.5
XLogP3
2.9
Consensus LogP
2.74
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
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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