CAS RN: 1144110-15-5
2-bromo-5-propoxypyridine
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.20260319 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1144110-15-5
- Purity/Analytical Methods: >99.0%
1144110-15-5 / 2-bromo-5-propoxypyridine
2-bromo-5-propoxypyridine | MFCD21099946 | 2-Bromo-5-propoxy-pyridine
Basic Information
CAS
1144110-15-5
Multi CAS
No
Molecular Formula
C8H10BrNO
Molecular Weight
216.070000
Exact Mass
214.994580
SMILES
CCCOC1=CN=C(C=C1)Br
InChI
InChI=1S/C8H10BrNO/c1-2-5-11-7-3-4-8(9)10-6-7/h3-4,6H,2,5H2,1H3
InChIKey
WYYGEMJWLYTXMK-UHFFFAOYSA-N
Synonyms
2-bromo-5-propoxypyridine
MFCD21099946
2-Bromo-5-propoxy-pyridine
SCHEMBL256095
WYYGEMJWLYTXMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
47.72
TPSA
22.12
LogP / Solubility
WLOGP
2.63
MLOGP
2.32
XLogP3
2.7
Consensus LogP
2.55
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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)
-2.17
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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