CAS RN: 733754-08-0
5-Thiazolecarboxylicacid,2-amino-4-(methoxymethyl)-,methylester(9CI)
- Product code: SSC-182844
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
733754-08-0 / methyl 2-amino-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
Basic Information
CAS
733754-08-0
Multi CAS
No
Molecular Formula
C7H10N2O3S
Molecular Weight
202.230000
Exact Mass
202.041213
InChI
InChI=1S/C7H10N2O3S/c1-11-3-4-5(6(10)12-2)13-7(8)9-4/h3H2,1-2H3,(H2,8,9)
InChIKey
HTAWCRCSPPWHCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
48.58
TPSA
74.44
LogP / Solubility
WLOGP
0.66
MLOGP
0.58
XLogP3
0.5
Consensus LogP
0.58
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
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)
-3.49
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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