![CAS 1440428-01-2 Methyl 6-chlorothiazolo[4,5-b]pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1440428-01-2.gif)
CAS RN: 1440428-01-2
Methyl 6-chlorothiazolo[4,5-b]pyridine-2-carboxylate
- Product code: SSC-055299
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 |
1440428-01-2 / methyl 6-chloro-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate
Basic Information
CAS
1440428-01-2
Multi CAS
No
Molecular Formula
C8H5ClN2O2S
Molecular Weight
228.660000
Exact Mass
227.976026
SMILES
COC(=O)C1=NC2=C(S1)C=C(C=N2)Cl
InChI
InChI=1S/C8H5ClN2O2S/c1-13-8(12)7-11-6-5(14-7)2-4(9)3-10-6/h2-3H,1H3
InChIKey
AIUFLRSCBKKMPZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
53.76
TPSA
52.08
LogP / Solubility
WLOGP
2.13
MLOGP
1.88
XLogP3
2.5
Consensus LogP
2.17
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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)
-2.6
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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