![CAS 692-39-7 Boron Trifluoride – Butanol Reagent (10-20%) [for Esterification] (1mL×10) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/missing_product_srp-26.jpeg)
CAS RN: 692-39-7
Boron Trifluoride – Butanol Reagent (10-20%) [for Esterification] (1mL×10)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250531 | 1ml | In stock | Inquiry |
- Product code: ICTX0034
692-39-7 / butyloxonio(trifluoro)boranuide
Basic Information
CAS
692-39-7
Multi CAS
Yes
Molecular Formula
BC4F3H10O
Molecular Weight
141.930000
Exact Mass
142.077680
InChI
InChI=1S/C4H10BF3O/c1-2-3-4-9-5(6,7)8/h9H,2-4H2,1H3
InChIKey
JDQOMAIUNGVENK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
31.07
TPSA
12.8
LogP / Solubility
WLOGP
1.66
MLOGP
1.45
XLogP3
1.66
Consensus LogP
1.59
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.44
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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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