![CAS 1256478-41-7 6-CHLORO-2-(CHLOROMETHYL)THIAZOLO[5,4-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22646901.gif)
CAS RN: 1256478-41-7
6-CHLORO-2-(CHLOROMETHYL)THIAZOLO[5,4-B]PYRIDINE
- Product code: SSC-030509
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 |
1256478-41-7 / 6-chloro-2-(chloromethyl)-[1,3]thiazolo[5,4-b]pyridine
Basic Information
CAS
1256478-41-7
Multi CAS
No
Molecular Formula
C7H4Cl2N2S
Molecular Weight
219.090000
Exact Mass
217.947225
SMILES
C1=C(C=NC2=C1N=C(S2)CCl)Cl
InChI
InChI=1S/C7H4Cl2N2S/c8-2-6-11-5-1-4(9)3-10-7(5)12-6/h1,3H,2H2
InChIKey
YPBUNWSZSDVNHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
51.98
TPSA
25.78
LogP / Solubility
WLOGP
3.08
MLOGP
2.72
XLogP3
2.7
Consensus LogP
2.83
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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