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CAS 105869-43-0 2-(cyclohexylethyl)boronic acid molecular structure lightbox
CAS RN: 105869-43-0

2-(cyclohexylethyl)boronic acid

  • Product code: SSC-007532
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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 105869-43-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

105869-43-0 / 2-cyclohexylethylboronic acid

2-Cyclohexylethylboronic acid | 2-(CYCLOHEXYLETHYL)BORONIC ACID | (2-Cyclohexylethyl)boronic acid

Standard CAS: 105869-43-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105869-43-0
Multi CAS
Yes
Molecular Formula
C8H17BO2
Molecular Weight
156.030000
Exact Mass
156.132160
SMILES
B(CCC1CCCCC1)(O)O
InChI
InChI=1S/C8H17BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h8,10-11H,1-7H2
InChIKey
UTDUYVCUESABMU-UHFFFAOYSA-N
Synonyms
2-Cyclohexylethylboronic acid 2-(CYCLOHEXYLETHYL)BORONIC ACID (2-Cyclohexylethyl)boronic acid MFCD06212462 CHEMBL277463

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.19
TPSA
40.46

LogP / Solubility

WLOGP
1.43
MLOGP
1.25
XLogP3
1.43
Consensus LogP
1.37
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.22
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)
-2.66

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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