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CAS 219489-09-5 4,4-(DIMETHYLCYCLOHEX-2-ENONE)-2-BORONIC ACID, PINACOL ESTER molecular structure lightbox
CAS RN: 219489-09-5

4,4-(DIMETHYLCYCLOHEX-2-ENONE)-2-BORONIC ACID, PINACOL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260315 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-105560
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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: ≥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 219489-09-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

219489-09-5 / 4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one

Standard CAS: 219489-09-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
219489-09-5
Multi CAS
No
Molecular Formula
C14H23BO3
Molecular Weight
250.140000
Exact Mass
250.174025
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(CCC2=O)(C)C
InChI
InChI=1S/C14H23BO3/c1-12(2)8-7-11(16)10(9-12)15-17-13(3,4)14(5,6)18-15/h9H,7-8H2,1-6H3
InChIKey
MMYLPQABFZSMCP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.79
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
72.19
TPSA
35.53

LogP / Solubility

WLOGP
2.93
MLOGP
2.59
XLogP3
2.93
Consensus LogP
2.82
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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