CAS RN: 220352-39-6
Cyclopropanamine,2-(3,4-difluorophenyl)-(1R,2S) -(2R,3R)-2,3-dihydroxybutanedioate (1:1)
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250417 | 10g | Out of stock | Inquiry | ||
| Batchno.20250702 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250204 | 250mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20250419 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251016 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS220352-39-6
- Purity/Analytical Methods: >99.0%
220352-39-6 / (2R,3R)-2,3-dihydroxybutanedioic acid;trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
Basic Information
CAS
220352-39-6
Multi CAS
No
Molecular Formula
C13H15F2NO6
Molecular Weight
319.260000
Exact Mass
319.086744
SMILES
C1[C@H]([C@@H]1N)C2=CC(=C(C=C2)F)F.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C9H9F2N.C4H6O6/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;5-1(3(7)8)2(6)4(9)10/h1-3,6,9H,4,12H2;1-2,5-6H,(H,7,8)(H,9,10)/t6-,9+;1-,2-/m01/s1
InChIKey
FXPRRXBPZROCLZ-ABXGAMCJSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
5
Molar refractivity
68.98
TPSA
141.08
LogP / Solubility
WLOGP
-0.34
MLOGP
-0.29
XLogP3
-0.34
Consensus LogP
-0.32
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-4.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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