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CAS 208399-66-0 4-Methoxy-2-methylphenylboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 208399-66-0

4-Methoxy-2-methylphenylboronic Acid (contains varying amounts of Anhydride)

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260325 10g Out of stock Inquiry
Batchno.20251111 1g In stock Inquiry
Batchno.20250525 25g Out of stock Inquiry
Batchno.20260502 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250626 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-097974
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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, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 208399-66-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 3 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

208399-66-0 / (4-methoxy-2-methylphenyl)boronic acid

Standard CAS: 208399-66-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
208399-66-0
Multi CAS
No
Molecular Formula
C8H11BO3
Molecular Weight
165.980000
Exact Mass
166.080124
SMILES
B(C1=C(C=C(C=C1)OC)C)(O)O
InChI
InChI=1S/C8H11BO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5,10-11H,1-2H3
InChIKey
AMSQNQJCBXQYEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.56
TPSA
49.69

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.28
XLogP3
-0.32
Consensus LogP
-0.31
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
Class (SILICOS-IT)
Very 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)
-3.96

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

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