CAS RN: 1241752-29-3
5-bromo-2-chloro-3-ethoxypyridine
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.20250903 | 100mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1241752-29-3
- Purity/Analytical Methods: >99.0%
1241752-29-3 / 5-bromo-2-chloro-3-ethoxypyridine
Basic Information
CAS
1241752-29-3
Multi CAS
No
Molecular Formula
C7H7BrClNO
Molecular Weight
236.490000
Exact Mass
234.939950
SMILES
CCOC1=C(N=CC(=C1)Br)Cl
InChI
InChI=1S/C7H7BrClNO/c1-2-11-6-3-5(8)4-10-7(6)9/h3-4H,2H2,1H3
InChIKey
LGMDMSGQELXZEL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
48.12
TPSA
22.12
LogP / Solubility
WLOGP
2.9
MLOGP
2.55
XLogP3
2.8
Consensus LogP
2.75
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-2.11
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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