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CAS 1783945-29-8 (3,3-difluoropiperidin-4-yl)Methanol hydrochloride molecular structure lightbox
CAS RN: 1783945-29-8

(3,3-difluoropiperidin-4-yl)Methanol hydrochloride

  • Product code: SSC-078965
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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: >95%
  • Inventory rows with stock: 3
  • 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 1783945-29-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Shanghai Inquiry

1783945-29-8 / (3,3-difluoropiperidin-4-yl)methanol;hydrochloride

Standard CAS: 1783945-29-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1783945-29-8
Multi CAS
No
Molecular Formula
C6H12ClF2NO
Molecular Weight
187.610000
Exact Mass
187.057548
SMILES
C1CNCC(C1CO)(F)F.Cl
InChI
InChI=1S/C6H11F2NO.ClH/c7-6(8)4-9-2-1-5(6)3-10;/h5,9-10H,1-4H2;1H
InChIKey
IWIOBEMDKUELNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.26
TPSA
32.26

LogP / Solubility

WLOGP
0.65
MLOGP
0.57
XLogP3
0.65
Consensus LogP
0.62
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
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)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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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