CAS RN: 945600-06-6
1,2,3,4-tetrahydro-5-iodo-1,8-Naphthyridine
- Product code: SSC-209625
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
945600-06-6 / 5-iodo-1,2,3,4-tetrahydro-1,8-naphthyridine
Basic Information
CAS
945600-06-6
Multi CAS
No
Molecular Formula
C8H9In2
Molecular Weight
260.070000
Exact Mass
259.981050
InChI
InChI=1S/C8H9IN2/c9-7-3-5-11-8-6(7)2-1-4-10-8/h3,5H,1-2,4H2,(H,10,11)
InChIKey
JIWNEQCEIHUEIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.76
TPSA
24.92
LogP / Solubility
WLOGP
2.04
MLOGP
1.81
XLogP3
2.2
Consensus LogP
2.02
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86
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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