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CAS 1515924-94-3 5-Chloro-2-(difluoroMethoxy)benzyl aMine HCl molecular structure lightbox
CAS RN: 1515924-94-3

5-Chloro-2-(difluoroMethoxy)benzyl aMine HCl

  • Product code: SSC-061429
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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 1515924-94-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1515924-94-3 / [5-chloro-2-(difluoromethoxy)phenyl]methanamine;hydrochloride

Standard CAS: 1515924-94-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1515924-94-3
Multi CAS
No
Molecular Formula
C8H9Cl2F2NO
Molecular Weight
244.060000
Exact Mass
243.002926
SMILES
C1=CC(=C(C=C1Cl)CN)OC(F)F.Cl
InChI
InChI=1S/C8H8ClF2NO.ClH/c9-6-1-2-7(13-8(10)11)5(3-6)4-12;/h1-3,8H,4,12H2;1H
InChIKey
BRIMRDRSAFSBSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.22
TPSA
35.25

LogP / Solubility

WLOGP
2.82
MLOGP
2.49
XLogP3
2.82
Consensus LogP
2.71
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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
1.5

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