[email protected]
CAS 185225-84-7 Cyclopropanamine,2-fluoro-,(1S,2R)-,4-methylbenzenesulfonate(9CI) molecular structure lightbox
CAS RN: 185225-84-7

Cyclopropanamine,2-fluoro-,(1S,2R)-,4-methylbenzenesulfonate(9CI)

  • Product code: SSC-085730
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, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 185225-84-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Beijing Inquiry
5g >95% 2 In Stock Hong Kong Inquiry

185225-84-7 / cis-(1S,2R)-2-fluorocyclopropan-1-amine;4-methylbenzenesulfonic acid

Standard CAS: 185225-84-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
185225-84-7
Multi CAS
No
Molecular Formula
C10H14FNO3S
Molecular Weight
247.290000
Exact Mass
247.067843
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.C1[C@@H]([C@@H]1F)N
InChI
InChI=1S/C7H8O3S.C3H6FN/c1-6-2-4-7(5-3-6)11(8,9)10;4-2-1-3(2)5/h2-5H,1H3,(H,8,9,10);2-3H,1,5H2/t;2-,3+/m.1/s1
InChIKey
XUWZMHVPMZXIRU-RCROYASPSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.48
TPSA
80.39

LogP / Solubility

WLOGP
1.3
MLOGP
1.15
XLogP3
1.3
Consensus LogP
1.25
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us