CAS RN: 21463-31-0
AMT HYDROCHLORIDE
Product Availability
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS21463-31-0
- Purity/Analytical Methods: >99.0%
21463-31-0 / 6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride
Basic Information
CAS
21463-31-0
Multi CAS
No
Molecular Formula
C5H11ClN2S
Molecular Weight
166.670000
Exact Mass
166.033147
SMILES
CC1CCN=C(S1)N.Cl
InChI
InChI=1S/C5H10N2S.ClH/c1-4-2-3-7-5(6)8-4;/h4H,2-3H2,1H3,(H2,6,7);1H
InChIKey
HVJCRMIQAMEJNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.41
TPSA
38.38
LogP / Solubility
WLOGP
1.25
MLOGP
1.09
XLogP3
1.25
Consensus LogP
1.2
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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