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CAS 145412-54-0 Dicyclohexyl(trifluoromethanesulfonyloxy)borane molecular structure lightbox
CAS RN: 145412-54-0

Dicyclohexyl(trifluoromethanesulfonyloxy)borane

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250725 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-056729
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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: ≥95%
  • 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 145412-54-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

145412-54-0 / dicyclohexylboranyl trifluoromethanesulfonate

Standard CAS: 145412-54-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
145412-54-0
Multi CAS
No
Molecular Formula
C13H22BF3O3S
Molecular Weight
326.200000
Exact Mass
326.133480
SMILES
B(C1CCCCC1)(C2CCCCC2)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C13H22BF3O3S/c15-13(16,17)21(18,19)20-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey
FBVDLYBQGQLANQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
75.48
TPSA
43.37

LogP / Solubility

WLOGP
4.51
MLOGP
3.99
XLogP3
4.51
Consensus LogP
4.34
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501

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