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CAS 33795-37-8 1,10-phenanthroline-2-carbaldehyde molecular structure lightbox
CAS RN: 33795-37-8

1,10-phenanthroline-2-carbaldehyde

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251219 100mg In stock Shanghai Inquiry
Batchno.20260514 1g In stock Shanghai Inquiry
Batchno.20251205 250mg In stock Shanghai Inquiry
Batchno.20250206 5g In stock Shanghai Inquiry
  • Product code: LINP888127
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33795-37-8 / 1,10-phenanthroline-2-carbaldehyde

Standard CAS: 33795-37-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33795-37-8
Multi CAS
No
Molecular Formula
C13H8N2O
Molecular Weight
208.210000
Exact Mass
208.063663
InChI
InChI=1S/C13H8N2O/c16-8-11-6-5-10-4-3-9-2-1-7-14-12(9)13(10)15-11/h1-8H
InChIKey
SURLLZFZRLZTBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
62.43
TPSA
42.85

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.3
Consensus LogP
2.4
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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)
-2.15

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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