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CAS 69110-33-4 2,2′-Bi(1,8-naphthyridine) molecular structure lightbox
CAS RN: 69110-33-4

2,2′-Bi(1,8-naphthyridine)

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Available package options are listed below.

1 package records1 with current stock
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251017 100mg In stock Shanghai Inquiry
  • Product code: ICTB1423
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69110-33-4 / 2-(1,8-naphthyridin-2-yl)-1,8-naphthyridine

Standard CAS: 69110-33-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69110-33-4
Multi CAS
No
Molecular Formula
C16H10N4
Molecular Weight
258.280000
Exact Mass
258.090546
InChI
InChI=1S/C16H10N4/c1-3-11-5-7-13(19-15(11)17-9-1)14-8-6-12-4-2-10-18-16(12)20-14/h1-10H
InChIKey
OGSULPWGXWPZOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
20
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
78.07
TPSA
51.56

LogP / Solubility

WLOGP
3.24
MLOGP
2.86
XLogP3
2.7
Consensus LogP
2.93
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly 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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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