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CAS 1212075-49-4 (R)-1-(2,5-Difluorophenyl)ethanaMine hydrochloride molecular structure lightbox
CAS RN: 1212075-49-4

(R)-1-(2,5-Difluorophenyl)ethanaMine hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260506 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-022957
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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 1212075-49-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1212075-49-4 / (1R)-1-(2,5-difluorophenyl)ethanamine

1-(2,5-difluorophenyl)ethan-1-amine | RefChem:420574 | 815-909-5

Standard CAS: 1212075-49-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212075-49-4
Multi CAS
Yes
Molecular Formula
C8H9F2N
Molecular Weight
157.160000
Exact Mass
157.070306
SMILES
C[C@H](C1=C(C=CC(=C1)F)F)N
InChI
InChI=1S/C8H9F2N/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5H,11H2,1H3/t5-/m1/s1
InChIKey
BMIRIPDNKQHPQG-RXMQYKEDSA-N
Synonyms
1-(2,5-difluorophenyl)ethan-1-amine RefChem:420574 815-909-5 1-(2,5-difluorophenyl)ethanamine 1-(2,5-Difluorophenyl)ethylamine

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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