CAS RN: 1331670-10-0
2-AMino-α-(MethoxyiMino)-4-thiazoleacetic Acid-d3 Methyl Ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260417 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1331670-10-0
- Purity/Analytical Methods: >99.0%
1331670-10-0 / methyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(trideuteriomethoxyimino)acetate
Basic Information
CAS
1331670-10-0
Multi CAS
No
Molecular Formula
C7H9N3O3S
Molecular Weight
218.250000
Exact Mass
218.055293
SMILES
[2H]C([2H])([2H])O/N=C(/C1=CSC(=N1)N)\C(=O)OC
InChI
InChI=1S/C7H9N3O3S/c1-12-6(11)5(10-13-2)4-3-14-7(8)9-4/h3H,1-2H3,(H2,8,9)/b10-5-/i2D3
InChIKey
MJAIDGPTIFCPGD-FAVSQNOZSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
52.09
TPSA
86.8
LogP / Solubility
WLOGP
0.25
MLOGP
0.22
XLogP3
1.3
Consensus LogP
0.59
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.86
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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