![CAS 1886967-78-7 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1886967-78-7.gif)
CAS RN: 1886967-78-7
3-(1,1-difluoroethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250115 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-087829
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: 0.05g, 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 4
- 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.
1886967-78-7 / 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
Basic Information
CAS
1886967-78-7
Multi CAS
No
Molecular Formula
C8H10F2O2
Molecular Weight
176.160000
Exact Mass
176.064886
SMILES
CC(C12CC(C1)(C2)C(=O)O)(F)F
InChI
InChI=1S/C8H10F2O2/c1-6(9,10)8-2-7(3-8,4-8)5(11)12/h2-4H2,1H3,(H,11,12)
InChIKey
WFODSJKTDGDWBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.97
TPSA
37.3
LogP / Solubility
WLOGP
1.9
MLOGP
1.67
XLogP3
1.4
Consensus LogP
1.66
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
ELA-14 (human)
- CAS RN: 1886973-05-2
- Product Code: starshine_CAS1886973-05-2
- Purity/Analytical method: >99.0%
-
ethyl 3-amino-1H-pyrazole-5-carboxylate
- CAS RN: 1886994-04-2
- Product Code: starshine_CAS1886994-04-2
- Purity/Analytical method: >99.0%
-
Ethyl 3-bromo-1H-pyrazole-5-carboxylate
- CAS RN: 1886994-07-5
- Product Code: starshine_CAS1886994-07-5
- Purity/Analytical method: >99.0%
-
-
5-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxo-pyridine-2-carbonitrile
- CAS RN: 1887014-14-3
- Product Code: starshine_CAS1887014-14-3
- Purity/Analytical method: >99.0%
-
2-Pyridinecarbonitrile, 5-fluoro-1,6-dihydro-1-methyl-6-oxo-
- CAS RN: 1887015-55-5
- Product Code: SSC-087834
![CAS 1887014-14-3 5-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxo-pyridine-2-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1887014-14-3.gif)
