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CAS 210907-84-9 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline molecular structure lightbox
CAS RN: 210907-84-9

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250411 100g Out of stock Inquiry
Batchno.20250910 10g In stock Inquiry
Batchno.20260618 1g In stock Inquiry
Batchno.20250407 25g In stock Inquiry
Batchno.20251206 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260124 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-100558
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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, 10g, 25g, 100g, 5g
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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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 210907-84-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Beijing Inquiry
10g ≥98% 5 In Stock Beijing Inquiry
25g ≥98% 5 In Stock Beijing Inquiry
100g ≥98% 5 In Stock Shenzhen Inquiry
5g ≥98% 4 In Stock Shanghai Inquiry

210907-84-9 / 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Standard CAS: 210907-84-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210907-84-9
Multi CAS
No
Molecular Formula
C12H18BNO2
Molecular Weight
219.090000
Exact Mass
219.143059
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N
InChI
InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8H,14H2,1-4H3
InChIKey
YMXIIVIQLHYKOT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.57
TPSA
44.48

LogP / Solubility

WLOGP
1.57
MLOGP
1.38
XLogP3
1.57
Consensus LogP
1.51
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately 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)
-2.94

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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