![CAS 2410559-74-7 trifluoro-(3-methoxycarbonyl-1-bicyclo[1.1.1]pentanyl)boranuide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2410559-74-7.gif)
CAS RN: 2410559-74-7
trifluoro-(3-methoxycarbonyl-1-bicyclo[1.1.1]pentanyl)boranuide
- Product code: SSC-117471
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.
2410559-74-7 / potassium trifluoro-(3-methoxycarbonyl-1-bicyclo[1.1.1]pentanyl)boranuide
Basic Information
CAS
2410559-74-7
Multi CAS
No
Molecular Formula
C7H9BF3KO2
Molecular Weight
232.050000
Exact Mass
232.028476
SMILES
[B-](C12CC(C1)(C2)C(=O)OC)(F)(F)F.[K+]
InChI
InChI=1S/C7H9BF3O2.K/c1-13-5(12)6-2-7(3-6,4-6)8(9,10)11;/h2-4H2,1H3;/q-1;+1
InChIKey
ASAXRQFLFVABCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
40.07
TPSA
26.3
LogP / Solubility
WLOGP
-1.06
MLOGP
-0.93
XLogP3
-1.06
Consensus LogP
-1.02
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.52
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
-
“(S)-3,3′-Bis[4-tert-butylphenyl]-5,5′,6,6′,7,7′,8,8′-octahydro-[1,1′-binaphthalene]-2,2′-diol, 99%e.e.”
- CAS RN: 2410797-93-0
- Product Code: starshine_CAS2410797-93-0
- Purity/Analytical method: >99.0%
-
INDEX NAME NOT YET ASSIGNED
- CAS RN: 2411078-31-2
- Product Code: starshine_CAS2411078-31-2
- Purity/Analytical method: >99.0%
-
7-chloronaphtho[1,2-b]benzofuran
- CAS RN: 2411141-56-3
- Product Code: starshine_CAS2411141-56-3
- Purity/Analytical method: >99.0%
-
5-((3AS,8aS)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)-5H-dibenzo[b,f]azepine
- CAS RN: 2411176-84-4
- Product Code: starshine_CAS2411176-84-4
- Purity/Analytical method: >99.0%
![CAS 2410797-93-0 “(S)-3,3′-Bis[4-tert-butylphenyl]-5,5′,6,6′,7,7′,8,8′-octahydro-[1,1′-binaphthalene]-2,2′-diol, 99%e.e.” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB93335322.gif)
![CAS 2411141-56-3 7-chloronaphtho[1,2-b]benzofuran molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2411141-56-3.gif)
![CAS 2411176-84-4 5-((3AS,8aS)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)-5H-dibenzo[b,f]azepine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2411176-84-4.gif)