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CAS 1227210-37-8 5-Fluoro-2-Methyl-3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Aniline molecular structure lightbox
CAS RN: 1227210-37-8

5-Fluoro-2-Methyl-3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Aniline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250112 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-025869
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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: ＞97%
  • 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 1227210-37-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1227210-37-8 / 6-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Standard CAS: 1227210-37-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227210-37-8
Multi CAS
No
Molecular Formula
C13H19BFNO2
Molecular Weight
251.110000
Exact Mass
251.149287
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C=C2)F)N)C
InChI
InChI=1S/C13H19BFNO2/c1-8-9(6-7-10(15)11(8)16)14-17-12(2,3)13(4,5)18-14/h6-7H,16H2,1-5H3
InChIKey
RCRQHOCOLMHIIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.27
TPSA
44.48

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
2.02
Consensus LogP
1.94
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

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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