CAS RN: 848472-44-6
Carbamic acid, N-(4-methyl-2-thiazolyl)-, 1,1-dimethylethyl ester
- Product code: SSC-192531
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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Beijing | Inquiry |
848472-44-6 / tert-butyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
Basic Information
CAS
848472-44-6
Multi CAS
No
Molecular Formula
C9H14N2O2S
Molecular Weight
214.290000
Exact Mass
214.077599
InChI
InChI=1S/C9H14N2O2S/c1-6-5-14-7(10-6)11-8(12)13-9(2,3)4/h5H,1-4H3,(H,10,11,12)
InChIKey
JGBZPLSFZVKDDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.71
TPSA
51.22
LogP / Solubility
WLOGP
2.8
MLOGP
2.46
XLogP3
2.3
Consensus LogP
2.52
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly 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)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
3-chloro-4-((6-methylpyridin-3-yl)oxy)aniline
- CAS RN: 848482-82-6
- Product Code: SSC-192534
-
-
(1R,4R)-tert-Butyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
- CAS RN: 848488-70-0
- Product Code: SSC-192539
-
1-Pyrrolidinecarboxylic acid, 2-(aminocarbonyl)-4-hydroxy-, 1,1-dimethylethyl ester, (2R,4R)-
- CAS RN: 848488-71-1
- Product Code: SSC-192540
-
![CAS 848488-70-0 (1R,4R)-tert-Butyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/848488-70-0.gif)
