CAS RN: 3230-35-1
6-Nitronaphthalen-2-amine
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250906 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250414 | 1g | Out of stock | Inquiry | ||
| Batchno.20260214 | 250mg | In stock | Shanghai, Shenzhen, Chengdu | Inquiry | |
| Batchno.20251217 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260625 | 5g | Out of stock | Inquiry |
3230-35-1 / 6-nitronaphthalen-2-amine
6-nitronaphthalen-2-amine | 2-Naphthalenamine, 6-nitro- | MFCD00046485
Basic Information
CAS
3230-35-1
Multi CAS
No
Molecular Formula
C10H8N2O2
Molecular Weight
188.180000
Exact Mass
188.058578
SMILES
C1=CC2=C(C=CC(=C2)[N+](=O)[O-])C=C1N
InChI
InChI=1S/C10H8N2O2/c11-9-3-1-8-6-10(12(13)14)4-2-7(8)5-9/h1-6H,11H2
InChIKey
LNYJXDMWSMEVGQ-UHFFFAOYSA-N
Synonyms
6-nitronaphthalen-2-amine
2-Naphthalenamine, 6-nitro-
MFCD00046485
2-amino-6-nitronaphthalene
6-Nitro-2-naphthylamine
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.01
TPSA
69.16
LogP / Solubility
WLOGP
2.33
MLOGP
2.05
XLogP3
2.6
Consensus LogP
2.33
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.21
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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