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CAS 791098-84-5 (DL) 2,4-Difluorobenzenemethanamine-alpha-methyl molecular structure lightbox
CAS RN: 791098-84-5

(DL) 2,4-Difluorobenzenemethanamine-alpha-methyl

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250730 250mg In stock Shanghai Inquiry
  • Product code: SSC-188340
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥96%
  • 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 791098-84-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥96% 0 Out of Stock Beijing Inquiry
0.25g ≥96% 0 Out of Stock Beijing Inquiry
1g ≥96% 0 Out of Stock Hong Kong Inquiry
5g ≥96% 0 Out of Stock Shenzhen Inquiry

791098-84-5 / (1R)-1-(2,4-difluorophenyl)ethanamine

Standard CAS: 791098-84-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
791098-84-5
Multi CAS
Yes
Molecular Formula
C8F2H9N
Molecular Weight
157.160000
Exact Mass
157.070306
InChI
InChI=1S/C8H9F2N/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5H,11H2,1H3/t5-/m1/s1
InChIKey
VBPKWFKAYDHOQW-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.96
TPSA
26.02

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
1.4
Consensus LogP
1.71
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately 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)
-2.27

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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