CAS RN: 52626-32-1
2-BroMo-3-chloro-1,8-naphthyridine
Product Availability
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5 package records4 with current stock1 grade group
- Product code: starshine_CAS52626-32-1
- Purity/Analytical Methods: >99.0%
52626-32-1 / 2-bromo-3-chloro-1,8-naphthyridine
Basic Information
CAS
52626-32-1
Multi CAS
No
Molecular Formula
C8H4BRCLN2
Molecular Weight
243.490000
Exact Mass
241.924640
InChI
InChI=1S/C8H4BrClN2/c9-7-6(10)4-5-2-1-3-11-8(5)12-7/h1-4H
InChIKey
CTOHOLZTPASUOQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
52.25
TPSA
25.78
LogP / Solubility
WLOGP
3.05
MLOGP
2.69
XLogP3
3.1
Consensus LogP
2.95
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04
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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