CAS RN: 1341697-43-5
Benzaldehyde, 3-(4-bromo-1H-pyrazol-1-yl)-
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.20250610 | 100mg / 250mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1341697-43-5
- Purity/Analytical Methods: >99.0%
1341697-43-5 / 3-(4-bromopyrazol-1-yl)benzaldehyde
Basic Information
CAS
1341697-43-5
Multi CAS
No
Molecular Formula
C10H7BrN2O
Molecular Weight
251.080000
Exact Mass
249.974180
SMILES
C1=CC(=CC(=C1)N2C=C(C=N2)Br)C=O
InChI
InChI=1S/C10H7BrN2O/c11-9-5-12-13(6-9)10-3-1-2-8(4-10)7-14/h1-7H
InChIKey
HCGIJFJUDVCBHP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
56.65
TPSA
34.89
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
2
Consensus LogP
2.2
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-2.51
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-(5-Bromopyrimidin-2-yl)thiomorpholine
- CAS RN: 1341761-16-7
- Product Code: starshine_CAS1341761-16-7
- Purity/Analytical method: >99.0%
-
-
-
[1-(2,4-difluorophenyl)cyclopentyl]methanamine
- CAS RN: 1341830-26-9
- Product Code: SSC-041582
![CAS 1341830-26-9 [1-(2,4-difluorophenyl)cyclopentyl]methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1341830-26-9.gif)