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CAS 1217477-52-5 (R)-1-(2,3-Difluoro-4-Methylphenyl)ethanaMine hydrochloride molecular structure lightbox
CAS RN: 1217477-52-5

(R)-1-(2,3-Difluoro-4-Methylphenyl)ethanaMine hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250219 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-024401
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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 1217477-52-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1217477-52-5 / (1R)-1-(2,3-difluoro-4-methylphenyl)ethanamine;hydrochloride

Standard CAS: 1217477-52-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217477-52-5
Multi CAS
No
Molecular Formula
C9H12ClF2N
Molecular Weight
207.650000
Exact Mass
207.062633
SMILES
CC1=C(C(=C(C=C1)[C@@H](C)N)F)F.Cl
InChI
InChI=1S/C9H11F2N.ClH/c1-5-3-4-7(6(2)12)9(11)8(5)10;/h3-4,6H,12H2,1-2H3;1H/t6-;/m1./s1
InChIKey
AHLCZZZZSHYPNY-FYZOBXCZSA-N

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
50.95
TPSA
26.02

LogP / Solubility

WLOGP
2.71
MLOGP
2.39
XLogP3
2.71
Consensus LogP
2.6
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-2.06

Drug-likeness / Medicinal Chemistry

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

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