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CAS 127972-02-5 5-Formyl-2-methoxyphenylboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 127972-02-5

5-Formyl-2-methoxyphenylboronic Acid (contains varying amounts of Anhydride)

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260528 100g In stock Shanghai Inquiry
Batchno.20250303 10g In stock Shanghai, Chengdu Inquiry
Batchno.20250204 1g In stock Shanghai, Chengdu Inquiry
Batchno.20260425 1g / 5g / 10g / 25g / 100g Out of stock 5-7 business days Inquiry
Batchno.20250425 25g In stock Shanghai Inquiry
Batchno.20250528 5g In stock Shanghai Inquiry
  • Product code: SSC-035325
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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 127972-02-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

127972-02-5 / (5-formyl-2-methoxyphenyl)boronic acid

Standard CAS: 127972-02-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
127972-02-5
Multi CAS
No
Molecular Formula
C8H9BO4
Molecular Weight
179.970000
Exact Mass
180.059389
SMILES
B(C1=C(C=CC(=C1)C=O)OC)(O)O
InChI
InChI=1S/C8H9BO4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-5,11-12H,1H3
InChIKey
NKKNXLPHCRLBDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.21
TPSA
66.76

LogP / Solubility

WLOGP
-0.81
MLOGP
-0.72
XLogP3
-0.81
Consensus LogP
-0.78
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.52
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)
-4.39

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H314 (88.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501

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