[email protected]
CAS 1209947-02-3 1-(2,5-difluorophenyl)cyclopropanamine(SALTDATA: HCl) molecular structure lightbox
CAS RN: 1209947-02-3

1-(2,5-difluorophenyl)cyclopropanamine(SALTDATA: HCl)

  • Product code: SSC-022326
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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 1209947-02-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1209947-02-3 / 1-(2,5-difluorophenyl)cyclopropan-1-amine

1-(2,5-Difluorophenyl)cyclopropanamine | 1-(2,5-difluorophenyl)cyclopropan-1-amine | MFCD11037199

Standard CAS: 1209947-02-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1209947-02-3
Multi CAS
Yes
Molecular Formula
C9H9F2N
Molecular Weight
169.170000
Exact Mass
169.070306
SMILES
C1CC1(C2=C(C=CC(=C2)F)F)N
InChI
InChI=1S/C9H9F2N/c10-6-1-2-8(11)7(5-6)9(12)3-4-9/h1-2,5H,3-4,12H2
InChIKey
XFKFEVCSHCTSQX-UHFFFAOYSA-N
Synonyms
1-(2,5-Difluorophenyl)cyclopropanamine 1-(2,5-difluorophenyl)cyclopropan-1-amine MFCD11037199 1-(2,5-difluorophenyl)cyclopropanamine(SALTDATA: HCl) SCHEMBL15173415

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.46
TPSA
26.02

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1.3
Consensus LogP
1.63
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us