CAS RN: 931100-02-6
4,6,8-trichloro-1,7-naphthyridine
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.20250621 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS931100-02-6
- Purity/Analytical Methods: >99.0%
931100-02-6 / 4,6,8-trichloro-1,7-naphthyridine
Basic Information
CAS
931100-02-6
Multi CAS
No
Molecular Formula
C8H3CL3N2
Molecular Weight
233.500000
Exact Mass
231.936181
InChI
InChI=1S/C8H3Cl3N2/c9-5-1-2-12-7-4(5)3-6(10)13-8(7)11/h1-3H
InChIKey
RXWXAIRRMCXMBL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
54.57
TPSA
25.78
LogP / Solubility
WLOGP
3.59
MLOGP
3.16
XLogP3
3.7
Consensus LogP
3.48
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
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)
-1.6
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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