[email protected]
CAS 1780559-04-7 1,1-Difluoro-2,3-dihydro-1H-inden-4-amine molecular structure lightbox
CAS RN: 1780559-04-7

1,1-Difluoro-2,3-dihydro-1H-inden-4-amine

  • Product code: SSC-078108
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1780559-04-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 1 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1780559-04-7 / 1,1-difluoro-2,3-dihydroinden-4-amine

Standard CAS: 1780559-04-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1780559-04-7
Multi CAS
No
Molecular Formula
C9H9F2N
Molecular Weight
169.170000
Exact Mass
169.070306
SMILES
C1CC(C2=C1C(=CC=C2)N)(F)F
InChI
InChI=1S/C9H9F2N/c10-9(11)5-4-6-7(9)2-1-3-8(6)12/h1-3H,4-5,12H2
InChIKey
BIPHLIJUOJJCNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.07
TPSA
26.02

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
2.1
Consensus LogP
2.15
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11

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