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CAS 1186663-16-0 1-(3,4-Difluorophenyl)cyclopropylamine Hydrochloride molecular structure lightbox
CAS RN: 1186663-16-0

1-(3,4-Difluorophenyl)cyclopropylamine Hydrochloride

  • Product code: SSC-018563
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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: 1g, 5g, 0.1g, 0.25g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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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 1186663-16-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 4 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry

1186663-16-0 / 1-(3,4-difluorophenyl)cyclopropan-1-amine;hydrochloride

1-(3,4-DIFLUOROPHENYL)CYCLOPROPYLAMINE HYDROCHLORIDE | 1-(3,4-difluorophenyl)cyclopropanamine hydrochloride | MFCD11052338

Standard CAS: 1186663-16-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1186663-16-0
Multi CAS
No
Molecular Formula
C9H10ClF2N
Molecular Weight
205.630000
Exact Mass
205.046983
SMILES
C1CC1(C2=CC(=C(C=C2)F)F)N.Cl
InChI
InChI=1S/C9H9F2N.ClH/c10-7-2-1-6(5-8(7)11)9(12)3-4-9;/h1-2,5H,3-4,12H2;1H
InChIKey
BKORYOMJPYTNMW-UHFFFAOYSA-N
Synonyms
1-(3,4-DIFLUOROPHENYL)CYCLOPROPYLAMINE HYDROCHLORIDE 1-(3,4-difluorophenyl)cyclopropanamine hydrochloride MFCD11052338 1-(3,4-difluorophenyl)cyclopropan-1-amine hydrochloride 1-(3,4-difluorophenyl)cyclopropylamine hcl

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.71
TPSA
26.02

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
2.33
Consensus LogP
2.24
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly 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)
-2.32

Drug-likeness / Medicinal Chemistry

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

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