CAS RN: 804482-36-8
methyl 2-((tert-butoxycarbonyl)amino)-4-chlorothiazole-5-carboxylate(WX191853)
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.20250403 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-189282
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
804482-36-8 / methyl 4-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate
Basic Information
CAS
804482-36-8
Multi CAS
No
Molecular Formula
C10H13CLN2O4S
Molecular Weight
292.740000
Exact Mass
292.028456
InChI
InChI=1S/C10H13ClN2O4S/c1-10(2,3)17-9(15)13-8-12-6(11)5(18-8)7(14)16-4/h1-4H3,(H,12,13,15)
InChIKey
LLFPBHPPKRRNMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
68.32
TPSA
77.52
LogP / Solubility
WLOGP
2.93
MLOGP
2.59
XLogP3
3
Consensus LogP
2.84
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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