CAS RN: 31301-30-1
1,10-Phenanthroline-4-carboxaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251016 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINP888176
31301-30-1 / 1,10-phenanthroline-4-carbaldehyde
Basic Information
CAS
31301-30-1
Multi CAS
No
Molecular Formula
C13H8N2O
Molecular Weight
208.210000
Exact Mass
208.063663
InChI
InChI=1S/C13H8N2O/c16-8-10-5-7-15-13-11(10)4-3-9-2-1-6-14-12(9)13/h1-8H
InChIKey
DBLDVGMUYWAEMK-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
1.9
Consensus LogP
2.26
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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