CAS RN: 90799-45-4
1-Amino-3-chloronaphthalene
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.20250823 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS90799-45-4
- Purity/Analytical Methods: >99.0%
90799-45-4 / 3-chloronaphthalen-1-amine
Basic Information
CAS
90799-45-4
Multi CAS
No
Molecular Formula
C10H8CLN
Molecular Weight
177.630000
Exact Mass
177.034527
InChI
InChI=1S/C10H8ClN/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6H,12H2
InChIKey
NLGWROLEWGVGSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.37
TPSA
26.02
LogP / Solubility
WLOGP
3.08
MLOGP
2.7
XLogP3
2.6
Consensus LogP
2.79
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly 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)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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