![CAS 1312412-89-7 2-Amino-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1312412-89-7.gif)
CAS RN: 1312412-89-7
2-Amino-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one hydrochloride
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260413 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1312412-89-7
- Purity/Analytical Methods: >99.0%
1312412-89-7 / 2-amino-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one;hydrochloride
Basic Information
CAS
1312412-89-7
Multi CAS
No
Molecular Formula
C6H8ClN3OS
Molecular Weight
205.670000
Exact Mass
205.007661
SMILES
C1CNC(=O)C2=C1N=C(S2)N.Cl
InChI
InChI=1S/C6H7N3OS.ClH/c7-6-9-3-1-2-8-5(10)4(3)11-6;/h1-2H2,(H2,7,9)(H,8,10);1H
InChIKey
KFIJAYFNIVTMNU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.81
TPSA
68.01
LogP / Solubility
WLOGP
0.43
MLOGP
0.38
XLogP3
0.43
Consensus LogP
0.41
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.67
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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