![CAS 1253281-38-7 2-Amino-4H-Pyrano[3,4-D]Thiazol-7(6H)-One(WX141259) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1253281-38-7.gif)
CAS RN: 1253281-38-7
2-Amino-4H-Pyrano[3,4-D]Thiazol-7(6H)-One(WX141259)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250825 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1253281-38-7
- Purity/Analytical Methods: >99.0%
1253281-38-7 / 2-amino-4H-pyrano[3,4-d][1,3]thiazol-7-one
Basic Information
CAS
1253281-38-7
Multi CAS
No
Molecular Formula
C6H6N2O2S
Molecular Weight
170.190000
Exact Mass
170.014999
SMILES
C1C2=C(C(=O)CO1)SC(=N2)N
InChI
InChI=1S/C6H6N2O2S/c7-6-8-3-1-10-2-4(9)5(3)11-6/h1-2H2,(H2,7,8)
InChIKey
KVDYIWNULHDGSJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
5
H-bond donors
1
Molar refractivity
40.51
TPSA
65.21
LogP / Solubility
WLOGP
0.44
MLOGP
0.38
XLogP3
0.2
Consensus LogP
0.34
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
Class (SILICOS-IT)
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)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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