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CAS 1389852-29-2 (R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethan-1-amine molecular structure lightbox
CAS RN: 1389852-29-2

(R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethan-1-amine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260411 100mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-049129
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • 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 1389852-29-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1389852-29-2 / (1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethanamine

Standard CAS: 1389852-29-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1389852-29-2
Multi CAS
No
Molecular Formula
C9H10F3N
Molecular Weight
189.180000
Exact Mass
189.076534
SMILES
C[C@H](C1=C(C(=CC=C1)C(F)F)F)N
InChI
InChI=1S/C9H10F3N/c1-5(13)6-3-2-4-7(8(6)10)9(11)12/h2-5,9H,13H2,1H3/t5-/m1/s1
InChIKey
QDCZKSVDMXYQHR-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.96
TPSA
26.02

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
1.9
Consensus LogP
2.38
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-1.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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