![CAS 1223748-47-7 tert-butyl 4-formylbenzo[d]thiazol-2-ylcarbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1223748-47-7.gif)
CAS RN: 1223748-47-7
tert-butyl 4-formylbenzo[d]thiazol-2-ylcarbamate
- Product code: SSC-025321
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 |
1223748-47-7 / tert-butyl N-(4-formyl-1,3-benzothiazol-2-yl)carbamate
Basic Information
CAS
1223748-47-7
Multi CAS
No
Molecular Formula
C13H14N2O3S
Molecular Weight
278.330000
Exact Mass
278.072513
SMILES
CC(C)(C)OC(=O)NC1=NC2=C(C=CC=C2S1)C=O
InChI
InChI=1S/C13H14N2O3S/c1-13(2,3)18-12(17)15-11-14-10-8(7-16)5-4-6-9(10)19-11/h4-7H,1-3H3,(H,14,15,17)
InChIKey
AJAFEUPCFVMWDG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.86
TPSA
68.29
LogP / Solubility
WLOGP
3.46
MLOGP
3.05
XLogP3
2.7
Consensus LogP
3.07
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-(4-(2-bromoethoxy)phenyl)-4H-1,2,4-triazole
- CAS RN: 1223748-48-8
- Product Code: starshine_CAS1223748-48-8
- Purity/Analytical method: >99.0%
-
-
-
TERT-BUTYL 3-(4-BROMO-1H-PYRAZOL-1-YL)-8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLATE
- CAS RN: 1224194-51-7
- Product Code: SSC-025342
-
5-Chloropyrazolo[1,5-a]pyriMidine-3-carbonitrile
- CAS RN: 1224288-92-9
- Product Code: SSC-025346
-
5-Oxo-4,5-dihydropyrazolo[1,5-a]pyriMidine-3-carbonitrile
- CAS RN: 1224288-95-2
- Product Code: SSC-025347
![CAS 1224194-51-7 TERT-BUTYL 3-(4-BROMO-1H-PYRAZOL-1-YL)-8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1224194-51-7.gif)
![CAS 1224288-92-9 5-Chloropyrazolo[1,5-a]pyriMidine-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1224288-92-9.gif)
![CAS 1224288-95-2 5-Oxo-4,5-dihydropyrazolo[1,5-a]pyriMidine-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1224288-95-2.gif)