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CAS 891842-82-3 2-Bromo-6-propoxypyridine molecular structure lightbox
CAS RN: 891842-82-3

2-Bromo-6-propoxypyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260513 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS891842-82-3
  • Purity/Analytical Methods: >99.0%
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891842-82-3 / 2-bromo-6-propoxypyridine

Standard CAS: 891842-82-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
891842-82-3
Multi CAS
No
Molecular Formula
BC8H10ORn
Molecular Weight
216.070000
Exact Mass
214.994580
InChI
InChI=1S/C8H10BrNO/c1-2-6-11-8-5-3-4-7(9)10-8/h3-5H,2,6H2,1H3
InChIKey
JROFSFBGPCHTHB-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
3.1
Consensus LogP
2.68
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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