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CAS 1150617-62-1 4-Fluorotetrahydro-2H-pyran-4-carboxylic acid molecular structure lightbox
CAS RN: 1150617-62-1

4-Fluorotetrahydro-2H-pyran-4-carboxylic acid

  • Product code: SSC-014776
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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, 5g, 10g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 1150617-62-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry
10g >95% 1 In Stock Beijing Inquiry
25g >95% 1 In Stock Shenzhen Inquiry
100g >95% 0 Out of Stock Shenzhen Inquiry

1150617-62-1 / 4-fluorooxane-4-carboxylic acid

4-Fluorotetrahydro-2H-pyran-4-carboxylic acid | 4-FLUOROOXANE-4-CARBOXYLIC ACID | DTXSID70654014

Standard CAS: 1150617-62-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1150617-62-1
Multi CAS
Yes
Molecular Formula
C6H9FO3
Molecular Weight
148.130000
Exact Mass
148.053572
SMILES
C1COCCC1(C(=O)O)F
InChI
InChI=1S/C6H9FO3/c7-6(5(8)9)1-3-10-4-2-6/h1-4H2,(H,8,9)
InChIKey
CGKBHMJXQWPYDK-UHFFFAOYSA-N
Synonyms
4-Fluorotetrahydro-2H-pyran-4-carboxylic acid 4-FLUOROOXANE-4-CARBOXYLIC ACID DTXSID70654014 RefChem:523442 DTXCID00604764

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
31.53
TPSA
46.53

LogP / Solubility

WLOGP
0.59
MLOGP
0.51
XLogP3
0.4
Consensus LogP
0.5
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
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)
-3.2

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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