CAS RN: 71702-00-6
5-BroMo-6-chloronicotinaldehyde
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.20260515 | 1g / 5g | Out of stock | 3-5 business days | Inquiry |
- Product code: starshine_CAS71702-00-6
- Purity/Analytical Methods: >99.0%
71702-00-6 / 5-bromo-6-chloropyridine-3-carbaldehyde
Basic Information
CAS
71702-00-6
Multi CAS
No
Molecular Formula
C6H3BRCLNO
Molecular Weight
220.450000
Exact Mass
218.908650
InChI
InChI=1S/C6H3BrClNO/c7-5-1-4(3-10)2-9-6(5)8/h1-3H
InChIKey
JUMZDNQKFRBLAB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.33
TPSA
29.96
LogP / Solubility
WLOGP
2.31
MLOGP
2.04
XLogP3
2
Consensus LogP
2.12
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
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)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS71712-93-1
- Purity/Analytical method: >99.0%
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