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CAS 1185045-95-7 3-(4-FLUOROPHENYL) MORPHOLINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1185045-95-7

3-(4-FLUOROPHENYL) MORPHOLINE HYDROCHLORIDE

  • Product code: SSC-018308
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1185045-95-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry

1185045-95-7 / 3-(4-fluorophenyl)morpholine;hydrochloride

3-(4-Fluorophenyl)morpholine hydrochloride | MFCD03840090 | 3-(4-Fluorophenyl) morpholine hydrochloride

Standard CAS: 1185045-95-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185045-95-7
Multi CAS
No
Molecular Formula
C10H13ClFNO
Molecular Weight
217.670000
Exact Mass
217.066970
SMILES
C1COCC(N1)C2=CC=C(C=C2)F.Cl
InChI
InChI=1S/C10H12FNO.ClH/c11-9-3-1-8(2-4-9)10-7-13-6-5-12-10;/h1-4,10,12H,5-7H2;1H
InChIKey
WMGZVNCXNNRNNF-UHFFFAOYSA-N
Synonyms
3-(4-Fluorophenyl)morpholine hydrochloride MFCD03840090 3-(4-Fluorophenyl) morpholine hydrochloride 3-(4-FLUOROPHENYL) MORPHOLINE HCL 3-(4-fluorophenyl)morpholine;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.21
TPSA
21.26

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1.91
Consensus LogP
1.83
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.69

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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