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CAS RN: 1363405-29-1
5-IODO-1,7-NAPHTHYRIDIN-8(7H)-ONE
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.20250626 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1363405-29-1
- Purity/Analytical Methods: >99.0%
1363405-29-1 / 5-iodo-7H-1,7-naphthyridin-8-one
Basic Information
CAS
1363405-29-1
Multi CAS
No
Molecular Formula
C8H5IN2O
Molecular Weight
272.040000
Exact Mass
271.944660
SMILES
C1=CC2=C(C(=O)NC=C2I)N=C1
InChI
InChI=1S/C8H5IN2O/c9-6-4-11-8(12)7-5(6)2-1-3-10-7/h1-4H,(H,11,12)
InChIKey
ZOBLPSZOJDYXDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.08
TPSA
45.75
LogP / Solubility
WLOGP
1.53
MLOGP
1.35
XLogP3
0.8
Consensus LogP
1.23
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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