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CAS 1375472-38-0 1-(3-FLUORO-4-METHOXYPHENYL)ETHAN-1-AMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1375472-38-0

1-(3-FLUORO-4-METHOXYPHENYL)ETHAN-1-AMINE HYDROCHLORIDE

  • Product code: SSC-047273
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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 1375472-38-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1375472-38-0 / 1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride

Standard CAS: 1375472-38-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375472-38-0
Multi CAS
No
Molecular Formula
C9H13ClFNO
Molecular Weight
205.660000
Exact Mass
205.066970
SMILES
CC(C1=CC(=C(C=C1)OC)F)N.Cl
InChI
InChI=1S/C9H12FNO.ClH/c1-6(11)7-3-4-9(12-2)8(10)5-7;/h3-6H,11H2,1-2H3;1H
InChIKey
IWQJXEXCMWBMQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.8
TPSA
35.25

LogP / Solubility

WLOGP
2.28
MLOGP
2
XLogP3
2.28
Consensus LogP
2.19
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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)
-2.36

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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