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CAS 1092938-90-3 2-(4-ethylcyclohex-1-enyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 1092938-90-3

2-(4-ethylcyclohex-1-enyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane

  • Product code: SSC-010528
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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: ≥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 1092938-90-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

1092938-90-3 / 2-(4-ethylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-Ethylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 2-(4-ethylcyclohex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | MFCD18383326

Standard CAS: 1092938-90-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1092938-90-3
Multi CAS
No
Molecular Formula
C14H25BO2
Molecular Weight
236.160000
Exact Mass
236.194760
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)CC
InChI
InChI=1S/C14H25BO2/c1-6-11-7-9-12(10-8-11)15-16-13(2,3)14(4,5)17-15/h9,11H,6-8,10H2,1-5H3
InChIKey
NTSKENROBGXZLC-UHFFFAOYSA-N
Synonyms
2-(4-Ethylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 2-(4-ethylcyclohex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane MFCD18383326 2-(4-ethylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (4-ethylcyclohex-1-en-1-yl)boronic acid pinacol ester

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
71.8
TPSA
18.46

LogP / Solubility

WLOGP
3.75
MLOGP
3.31
XLogP3
3.75
Consensus LogP
3.6
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.5

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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