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CAS 1241679-85-5 (1R)-1-(4-BROMO-2,6-DIFLUOROPHENYL)ETHYLAMINE molecular structure lightbox
CAS RN: 1241679-85-5

(1R)-1-(4-BROMO-2,6-DIFLUOROPHENYL)ETHYLAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251212 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-027980
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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 1241679-85-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1241679-85-5 / (1R)-1-(4-bromo-2,6-difluorophenyl)ethanamine

Standard CAS: 1241679-85-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1241679-85-5
Multi CAS
No
Molecular Formula
C8H8BrF2N
Molecular Weight
236.060000
Exact Mass
234.980820
SMILES
C[C@H](C1=C(C=C(C=C1F)Br)F)N
InChI
InChI=1S/C8H8BrF2N/c1-4(12)8-6(10)2-5(9)3-7(8)11/h2-4H,12H2,1H3/t4-/m1/s1
InChIKey
RKEWVQWENMZJIB-SCSAIBSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.66
TPSA
26.02

LogP / Solubility

WLOGP
2.75
MLOGP
2.42
XLogP3
2.1
Consensus LogP
2.42
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-2.21

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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