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CAS 101251-09-6 4-Acetamidophenylboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 101251-09-6

4-Acetamidophenylboronic Acid (contains varying amounts of Anhydride)

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260502 10g Out of stock Inquiry
Batchno.20250226 1g In stock Inquiry
Batchno.20260401 25g Out of stock Inquiry
Batchno.20260124 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250822 200mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-002094
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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: 0.25g, 1g, 5g, 10g
  • 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 101251-09-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry

101251-09-6 / (4-acetamidophenyl)boronic acid

(3-acetamidophenyl)boronic acid | RefChem:399786 | 671-843-5

Standard CAS: 101251-09-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101251-09-6
Multi CAS
Yes
Molecular Formula
C8H10BNO3
Molecular Weight
178.980000
Exact Mass
179.075373
SMILES
B(C1=CC=C(C=C1)NC(=O)C)(O)O
InChI
InChI=1S/C8H10BNO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChIKey
VYEWTHXZHHATTA-UHFFFAOYSA-N
Synonyms
(3-acetamidophenyl)boronic acid RefChem:399786 671-843-5 3-Acetamidophenylboronic acid 3-Acetylaminophenylboronic acid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
50.57
TPSA
69.56

LogP / Solubility

WLOGP
-0.68
MLOGP
-0.6
XLogP3
-0.68
Consensus LogP
-0.65
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (11.1%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (11.1%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (77.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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