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CAS 705254-34-8 POTASSIUM (4-METHOXYCARBONYLPHENYL)TRIFLUOROBORATE molecular structure lightbox
CAS RN: 705254-34-8

POTASSIUM (4-METHOXYCARBONYLPHENYL)TRIFLUOROBORATE

  • Product code: SSC-180298
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 705254-34-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

705254-34-8 / potassium trifluoro-(4-methoxycarbonylphenyl)boranuide

Standard CAS: 705254-34-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
705254-34-8
Multi CAS
No
Molecular Formula
BC8F3H7KO2
Molecular Weight
242.050000
Exact Mass
242.012826
InChI
InChI=1S/C8H7BF3O2.K/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12;/h2-5H,1H3;/q-1;+1
InChIKey
IQYSKWRPRJKKAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
46.49
TPSA
26.3

LogP / Solubility

WLOGP
-1.47
MLOGP
-1.29
XLogP3
-1.47
Consensus LogP
-1.41
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.25
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)
-5.24

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
1.5

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