CAS RN: 1223748-48-8
4-(4-(2-bromoethoxy)phenyl)-4H-1,2,4-triazole
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.20260524 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1223748-48-8
- Purity/Analytical Methods: >99.0%
1223748-48-8 / 4-[4-(2-bromoethoxy)phenyl]-1,2,4-triazole
Basic Information
CAS
1223748-48-8
Multi CAS
No
Molecular Formula
C10H10BrN3O
Molecular Weight
268.110000
Exact Mass
267.000720
SMILES
C1=CC(=CC=C1N2C=NN=C2)OCCBr
InChI
InChI=1S/C10H10BrN3O/c11-5-6-15-10-3-1-9(2-4-10)14-7-12-13-8-14/h1-4,7-8H,5-6H2
InChIKey
WATFMTKDRVPAJO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
60.65
TPSA
39.94
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
1.8
Consensus LogP
1.88
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
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
-
-
-
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
-
4,4′-Dibutoxy-2,2′-bis(trimethylstannyl)-5,5′-bithiazole
- CAS RN: 1224430-28-7
- Product Code: SSC-025354
![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)
