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CAS 1256256-45-7 4-(Boc-aMino)-2-fluorobenzeneboronic acid pinacol ester molecular structure lightbox
CAS RN: 1256256-45-7

4-(Boc-aMino)-2-fluorobenzeneboronic acid pinacol ester

  • Product code: SSC-030396
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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, 5g, 10g, 25g
  • 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 1256256-45-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

1256256-45-7 / tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

Standard CAS: 1256256-45-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256256-45-7
Multi CAS
No
Molecular Formula
C17H25BFNO4
Molecular Weight
337.200000
Exact Mass
337.186067
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)NC(=O)OC(C)(C)C)F
InChI
InChI=1S/C17H25BFNO4/c1-15(2,3)22-14(21)20-11-8-9-12(13(19)10-11)18-23-16(4,5)17(6,7)24-18/h8-10H,1-7H3,(H,20,21)
InChIKey
FALNYBWTRBHWID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
91.97
TPSA
56.79

LogP / Solubility

WLOGP
3.47
MLOGP
3.07
XLogP3
3.47
Consensus LogP
3.34
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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