[email protected]
CAS 13916-91-1 6-fluoronaphthalen-2-amine molecular structure lightbox
CAS RN: 13916-91-1

6-fluoronaphthalen-2-amine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250702 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS13916-91-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

13916-91-1 / 6-fluoronaphthalen-2-amine

Standard CAS: 13916-91-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13916-91-1
Multi CAS
No
Molecular Formula
C10H8FN
Molecular Weight
161.180000
Exact Mass
161.064077
SMILES
C1=CC2=C(C=CC(=C2)F)C=C1N
InChI
InChI=1S/C10H8FN/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6H,12H2
InChIKey
HDNDTCOAZCSWGM-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
48.32
TPSA
26.02

LogP / Solubility

WLOGP
2.56
MLOGP
2.25
XLogP3
2.4
Consensus LogP
2.4
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-1.88

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

Customers Also Viewed

Get In Touch

Contact Us