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CAS 1356111-12-0 2-(4-fluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 1356111-12-0

2-(4-fluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250223 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-044130
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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: 1g
  • Available purity: ≥98%
  • 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 1356111-12-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

1356111-12-0 / 2-(4-fluorocyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 1356111-12-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1356111-12-0
Multi CAS
No
Molecular Formula
C12H20BFO2
Molecular Weight
226.100000
Exact Mass
226.154038
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)F
InChI
InChI=1S/C12H20BFO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5,10H,6-8H2,1-4H3
InChIKey
ITQWMZDDMPUEMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
62.91
TPSA
18.46

LogP / Solubility

WLOGP
3.07
MLOGP
2.7
XLogP3
3.07
Consensus LogP
2.95
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly 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)
-1.92

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
2

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