CAS RN: 773099-34-6
2-(4-bromophenoxy)-6-chloropyridine-4-carboxylic acid
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.20250305 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS773099-34-6
- Purity/Analytical Methods: >99.0%
773099-34-6 / 2-(4-bromophenoxy)-6-chloropyridine-4-carboxylic acid
Basic Information
CAS
773099-34-6
Multi CAS
No
Molecular Formula
C12H7BRCLNO3
Molecular Weight
328.540000
Exact Mass
326.929780
InChI
InChI=1S/C12H7BrClNO3/c13-8-1-3-9(4-2-8)18-11-6-7(12(16)17)5-10(14)15-11/h1-6H,(H,16,17)
InChIKey
LAKPTMCUSSUIPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.42
TPSA
59.42
LogP / Solubility
WLOGP
3.99
MLOGP
3.52
XLogP3
3.9
Consensus LogP
3.8
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89
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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