[email protected]
CAS 1073353-89-5 2-(2-Fluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 1073353-89-5

2-(2-Fluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

  • Product code: SSC-008898
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1073353-89-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 3 In Stock Beijing Inquiry
1g -- 2 In Stock Shenzhen Inquiry
0.1g -- 0 Out of Stock Hong Kong Inquiry
0.1g ≥97% 0 Out of Stock Shanghai Inquiry
0.25g -- 0 Out of Stock Shanghai Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry
5g -- 0 Out of Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

1073353-89-5 / 2-(2-fluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2-Fluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 2-Fluoro-4-nitrophenylboronic acid, pinacol ester | MFCD09264075

Standard CAS: 1073353-89-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1073353-89-5
Multi CAS
Yes
Molecular Formula
C12H15BFNO4
Molecular Weight
267.060000
Exact Mass
267.107816
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)[N+](=O)[O-])F
InChI
InChI=1S/C12H15BFNO4/c1-11(2)12(3,4)19-13(18-11)9-6-5-8(15(16)17)7-10(9)14/h5-7H,1-4H3
InChIKey
QYXHQOSFZITWSU-UHFFFAOYSA-N
Synonyms
2-(2-Fluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 2-Fluoro-4-nitrophenylboronic acid, pinacol ester MFCD09264075 2-Fluoro-4-nitrophenylboronic acid pinacol ester SCHEMBL15974099

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
68.77
TPSA
61.6

LogP / Solubility

WLOGP
2.03
MLOGP
1.8
XLogP3
2.03
Consensus LogP
1.95
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.91

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

Customers Also Viewed

Get In Touch

Contact Us