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CAS 1251825-71-4 (9,9-dimethyl-9H-fluoren-1-yl)boronic acid molecular structure lightbox
CAS RN: 1251825-71-4

(9,9-dimethyl-9H-fluoren-1-yl)boronic acid

  • Product code: SSC-029890
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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 1251825-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1251825-71-4 / (9,9-dimethylfluoren-1-yl)boronic acid

Standard CAS: 1251825-71-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1251825-71-4
Multi CAS
No
Molecular Formula
C15H15BO2
Molecular Weight
238.090000
Exact Mass
238.116510
SMILES
B(C1=C2C(=CC=C1)C3=CC=CC=C3C2(C)C)(O)O
InChI
InChI=1S/C15H15BO2/c1-15(2)12-8-4-3-6-10(12)11-7-5-9-13(14(11)15)16(17)18/h3-9,17-18H,1-2H3
InChIKey
BGKHQCLJYVUKNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
73.83
TPSA
40.46

LogP / Solubility

WLOGP
1.67
MLOGP
1.48
XLogP3
1.67
Consensus LogP
1.61
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98

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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