CAS RN: 81569-25-7
METHYL 2-AMINO-5-ISOPROPYL-1,3-THIAZOLE-4-CARBOXYLATE
- Product code: SSC-189979
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
81569-25-7 / methyl 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate
Basic Information
CAS
81569-25-7
Multi CAS
Yes
Molecular Formula
C8H12N2O2S
Molecular Weight
200.260000
Exact Mass
200.061949
InChI
InChI=1S/C8H12N2O2S/c1-4(2)6-5(7(11)12-3)10-8(9)13-6/h4H,1-3H3,(H2,9,10)
InChIKey
YEJDFNBFDCUMAG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
51.95
TPSA
65.21
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
2
Consensus LogP
1.69
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.78
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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