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CAS 1241752-31-7 5-bromo-2-ethoxy-3-methoxypyridine molecular structure lightbox
CAS RN: 1241752-31-7

5-bromo-2-ethoxy-3-methoxypyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250725 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1241752-31-7
  • Purity/Analytical Methods: >99.0%
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1241752-31-7 / 5-bromo-2-ethoxy-3-methoxypyridine

Standard CAS: 1241752-31-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1241752-31-7
Multi CAS
No
Molecular Formula
C8H10BrNO2
Molecular Weight
232.070000
Exact Mass
230.989490
SMILES
CCOC1=C(C=C(C=N1)Br)OC
InChI
InChI=1S/C8H10BrNO2/c1-3-12-8-7(11-2)4-6(9)5-10-8/h4-5H,3H2,1-2H3
InChIKey
PMFQDAPOKQNRHM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
49.66
TPSA
31.35

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
2.2
Consensus LogP
2.15
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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