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CAS 1208389-30-3 1-(3,5-difluorophenyl)cyclopropanamine(SALTDATA: HCl) molecular structure lightbox
CAS RN: 1208389-30-3

1-(3,5-difluorophenyl)cyclopropanamine(SALTDATA: HCl)

  • Product code: SSC-022189
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1208389-30-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1208389-30-3 / 1-(3,5-difluorophenyl)cyclopropan-1-amine

1-(3,5-Difluorophenyl)cyclopropanamine | 1-(3,5-difluorophenyl)cyclopropan-1-amine | MFCD11037207

Standard CAS: 1208389-30-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1208389-30-3
Multi CAS
Yes
Molecular Formula
C9H9F2N
Molecular Weight
169.170000
Exact Mass
169.070306
SMILES
C1CC1(C2=CC(=CC(=C2)F)F)N
InChI
InChI=1S/C9H9F2N/c10-7-3-6(4-8(11)5-7)9(12)1-2-9/h3-5H,1-2,12H2
InChIKey
PNDWBHMZTHGWAF-UHFFFAOYSA-N
Synonyms
1-(3,5-Difluorophenyl)cyclopropanamine 1-(3,5-difluorophenyl)cyclopropan-1-amine MFCD11037207 1-(3,5-difluorophenyl)cyclopropanamine(SALTDATA: HCl) starbld0017153

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

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