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CAS 1011531-89-7 2-(5,5-dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 1011531-89-7

2-(5,5-dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251204 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-002011
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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 1011531-89-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1011531-89-7 / 2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(5,5-DIMETHYLCYCLOPENT-1-ENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE | 2-(5,5-Dimethylcyclopent-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | MFCD16996204

Standard CAS: 1011531-89-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1011531-89-7
Multi CAS
Yes
Molecular Formula
C13H23BO2
Molecular Weight
222.130000
Exact Mass
222.179110
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCCC2(C)C
InChI
InChI=1S/C13H23BO2/c1-11(2)9-7-8-10(11)14-15-12(3,4)13(5,6)16-14/h8H,7,9H2,1-6H3
InChIKey
RKTUVUTWPYUGDI-UHFFFAOYSA-N
Synonyms
2-(5,5-DIMETHYLCYCLOPENT-1-ENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE 2-(5,5-Dimethylcyclopent-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane MFCD16996204 2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (5,5-DIMETHYLCYCLOPENT-1-EN-1-YL)BORONIC ACID PINACOL ESTER

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
67.18
TPSA
18.46

LogP / Solubility

WLOGP
3.36
MLOGP
2.96
XLogP3
3.36
Consensus LogP
3.23
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly 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)
-1.69

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
1.5

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