CAS RN: 1434142-09-2
methyl 5-bromo-1-(oxan-2-yl)-1H-pyrazole-4-carboxylate
- Product code: SSC-054870
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 | Hong Kong | Inquiry |
1434142-09-2 / methyl 5-bromo-1-(oxan-2-yl)pyrazole-4-carboxylate
Basic Information
CAS
1434142-09-2
Multi CAS
No
Molecular Formula
C10H13BrN2O3
Molecular Weight
289.130000
Exact Mass
288.010950
SMILES
COC(=O)C1=C(N(N=C1)C2CCCCO2)Br
InChI
InChI=1S/C10H13BrN2O3/c1-15-10(14)7-6-12-13(9(7)11)8-4-2-3-5-16-8/h6,8H,2-5H2,1H3
InChIKey
LPVKDOWUUBOZJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
60.11
TPSA
53.35
LogP / Solubility
WLOGP
2.13
MLOGP
1.89
XLogP3
1.9
Consensus LogP
1.97
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
methyl 3-bromo-2-methyl-2H-indazole-6-carboxylate
- CAS RN: 1434142-10-5
- Product Code: starshine_CAS1434142-10-5
- Purity/Analytical method: >99.0%
-
[5-(TRIFLUOROMETHYL)-1,3-THIAZOL-2-YL]METHANOL
- CAS RN: 1434142-11-6
- Product Code: SSC-054871
-
-
tert-butyl 9-oxo-2-azaspiro[5.5]undecane-2-carboxylate
- CAS RN: 1434142-14-9
- Product Code: SSC-054873
-
tert-butyl 6-(hydroxymethyl)-1-azaspiro[3.3]heptane-1-carboxylate
- CAS RN: 1434142-15-0
- Product Code: SSC-054874
-
1-benzyl 3-ethyl 3-aminoazetidine-1,3-dicarboxylate
- CAS RN: 1434142-16-1
- Product Code: SSC-054875
![CAS 1434142-11-6 [5-(TRIFLUOROMETHYL)-1,3-THIAZOL-2-YL]METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1434142-11-6.gif)
![CAS 1434142-13-8 3-Cbz-6-oxo-3-azabicyclo[3.1.1]heptane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62704306(1).gif)
![CAS 1434142-14-9 tert-butyl 9-oxo-2-azaspiro[5.5]undecane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1434142-14-9.gif)
![CAS 1434142-15-0 tert-butyl 6-(hydroxymethyl)-1-azaspiro[3.3]heptane-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1434142-15-0.gif)
