CAS RN: 1217680-69-7
(+)-2-Amino-6-propionamido-d3-tetrahydrobenzothiazole
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.20260128 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1217680-69-7
- Purity/Analytical Methods: >99.0%
1217680-69-7 / N-[(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-3,3,3-trideuteriopropanamide
Basic Information
CAS
1217680-69-7
Multi CAS
No
Molecular Formula
C10H15N3OS
Molecular Weight
228.330000
Exact Mass
228.112414
SMILES
[2H]C([2H])([2H])CC(=O)N[C@@H]1CCC2=C(C1)SC(=N2)N
InChI
InChI=1S/C10H15N3OS/c1-2-9(14)12-6-3-4-7-8(5-6)15-10(11)13-7/h6H,2-5H2,1H3,(H2,11,13)(H,12,14)/t6-/m1/s1/i1D3
InChIKey
VVPFOYOFGUBZRY-IVAVZGRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.77
TPSA
68.01
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
1.2
Consensus LogP
1.1
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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