CAS RN: 1373503-48-0
2-(3,3-Difluorocyclobutyl)acetic acid
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-046889
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: 5g, 10g, 1g, 0.25g, 25g
- Available purity: >97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | >97% | 5 In Stock | Beijing | Inquiry |
| 10g | >97% | 4 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 1 In Stock | Shanghai | Inquiry |
1373503-48-0 / 2-(3,3-difluorocyclobutyl)acetic acid
Basic Information
CAS
1373503-48-0
Multi CAS
No
Molecular Formula
C6H8F2O2
Molecular Weight
150.120000
Exact Mass
150.049236
SMILES
C1C(CC1(F)F)CC(=O)O
InChI
InChI=1S/C6H8F2O2/c7-6(8)2-4(3-6)1-5(9)10/h4H,1-3H2,(H,9,10)
InChIKey
WLOWIPYSYJEWHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.92
TPSA
37.3
LogP / Solubility
WLOGP
1.51
MLOGP
1.32
XLogP3
1.1
Consensus LogP
1.31
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
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)
-2.57
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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