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CAS 1182284-28-1 (5-Fluoro-2-hydroxyphenyl)(piperidin-4-yl)methanone hydrochloride molecular structure lightbox
CAS RN: 1182284-28-1

(5-Fluoro-2-hydroxyphenyl)(piperidin-4-yl)methanone hydrochloride

  • Product code: SSC-018036
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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: 0.25g
  • 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 1182284-28-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1182284-28-1 / (5-fluoro-2-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride

(5-fluoro-2-hydroxyphenyl)(piperidin-4-yl)methanone hydrochloride | MFCD06409283 | (5-fluoro-2-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride

Standard CAS: 1182284-28-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1182284-28-1
Multi CAS
Yes
Molecular Formula
C12H15ClFNO2
Molecular Weight
259.700000
Exact Mass
259.077535
SMILES
C1CNCCC1C(=O)C2=C(C=CC(=C2)F)O.Cl
InChI
InChI=1S/C12H14FNO2.ClH/c13-9-1-2-11(15)10(7-9)12(16)8-3-5-14-6-4-8;/h1-2,7-8,14-15H,3-6H2;1H
InChIKey
YEBHVJDZJXVENU-UHFFFAOYSA-N
Synonyms
(5-fluoro-2-hydroxyphenyl)(piperidin-4-yl)methanone hydrochloride MFCD06409283 (5-fluoro-2-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride 1-Benzopyrylium,3-(b-D-galactopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- (5-Fluoro-2-hydroxyphenyl)(4-piperidinyl)methanone hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.24
TPSA
49.33

LogP / Solubility

WLOGP
2.14
MLOGP
1.89
XLogP3
2.14
Consensus LogP
2.06
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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