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CAS 121124-98-9 4-BENZYLOXY-3-FORMYLPHENYLBORONIC ACID molecular structure lightbox
CAS RN: 121124-98-9

4-BENZYLOXY-3-FORMYLPHENYLBORONIC ACID

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260612 1g In stock Shanghai Inquiry
Batchno.20260311 250mg In stock Shanghai Inquiry
Batchno.20250308 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20250303 25g Out of stock Inquiry
Batchno.20260125 5g In stock Shenzhen, Tianjin Inquiry
  • Product code: SSC-022484
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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: ≥95%
  • 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 121124-98-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

121124-98-9 / (3-formyl-4-phenylmethoxyphenyl)boronic acid

3-Formyl-4-benzyloxyphenylboronic acid | 4-Benzyloxy-3-formylphenylboronic acid | (4-(Benzyloxy)-3-formylphenyl)boronic acid

Standard CAS: 121124-98-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
121124-98-9
Multi CAS
No
Molecular Formula
C14H13BO4
Molecular Weight
256.060000
Exact Mass
256.090689
SMILES
B(C1=CC(=C(C=C1)OCC2=CC=CC=C2)C=O)(O)O
InChI
InChI=1S/C14H13BO4/c16-9-12-8-13(15(17)18)6-7-14(12)19-10-11-4-2-1-3-5-11/h1-9,17-18H,10H2
InChIKey
SELUMTHJWHLSBV-UHFFFAOYSA-N
Synonyms
3-Formyl-4-benzyloxyphenylboronic acid 4-Benzyloxy-3-formylphenylboronic acid (4-(Benzyloxy)-3-formylphenyl)boronic acid 4-(benzyloxy)-3-formylphenylboronic acid (3-formyl-4-phenylmethoxyphenyl)boronic acid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
72.43
TPSA
66.76

LogP / Solubility

WLOGP
0.76
MLOGP
0.67
XLogP3
0.76
Consensus LogP
0.73
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-3.74

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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