CAS RN: 1454906-51-4
TERT-BUTYL ((5-BROMO-1,3,4-THIADIAZOL-2-YL)METHYL)CARBAMATE
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.20260320 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1454906-51-4
- Purity/Analytical Methods: >99.0%
1454906-51-4 / tert-butyl N-[(5-bromo-1,3,4-thiadiazol-2-yl)methyl]carbamate
Basic Information
CAS
1454906-51-4
Multi CAS
No
Molecular Formula
C8H12BrN3O2S
Molecular Weight
294.170000
Exact Mass
292.983360
SMILES
CC(C)(C)OC(=O)NCC1=NN=C(S1)Br
InChI
InChI=1S/C8H12BrN3O2S/c1-8(2,3)14-7(13)10-4-5-11-12-6(9)15-5/h4H2,1-3H3,(H,10,13)
InChIKey
GAMAMLTWNYNACZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
60.68
TPSA
64.11
LogP / Solubility
WLOGP
2.33
MLOGP
2.06
XLogP3
1.9
Consensus LogP
2.1
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
5-Bromo-2-(tert-butyl-dimethyl-silanyloxymethyl)-oxazole
- CAS RN: 1454907-13-1
- Product Code: SSC-056813
-
-
-
4-(4-(5,5-diMethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyriMidine
- CAS RN: 1454920-20-7
- Product Code: starshine_CAS1454920-20-7
- Purity/Analytical method: >99.0%
-
3-[(TERT-BUTYLDIPHENYLSILYL)OXY]-3-METHYLAZETIDINE
- CAS RN: 1455010-26-0
- Product Code: SSC-056828
-
(3,3-Dimethylcyclobutyl)methanamine hydrochloride
- CAS RN: 1455037-07-6
- Product Code: SSC-056829
![CAS 1454920-20-7 4-(4-(5,5-diMethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1454920-20-7.gif)
![CAS 1455010-26-0 3-[(TERT-BUTYLDIPHENYLSILYL)OXY]-3-METHYLAZETIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1455010-26-0.gif)
