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CAS 108238-09-1 2-Phenoxyphenylboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 108238-09-1

2-Phenoxyphenylboronic Acid (contains varying amounts of Anhydride)

  • Product code: SSC-009497
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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: 25g
  • 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 108238-09-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

108238-09-1 / (2-phenoxyphenyl)boronic acid

(2-phenoxyphenyl)boronic Acid | RefChem:396206 | 690-012-8

Standard CAS: 108238-09-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108238-09-1
Multi CAS
Yes
Molecular Formula
C12H11BO3
Molecular Weight
214.030000
Exact Mass
214.080124
SMILES
B(C1=CC=CC=C1OC2=CC=CC=C2)(O)O
InChI
InChI=1S/C12H11BO3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9,14-15H
InChIKey
AVOWPOFIQZSVGV-UHFFFAOYSA-N
Synonyms
(2-phenoxyphenyl)boronic Acid RefChem:396206 690-012-8 2-Phenoxyphenylboronic acid 2-Phenoxybenzeneboronic acid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.78
TPSA
49.69

LogP / Solubility

WLOGP
1.16
MLOGP
1.02
XLogP3
1.16
Consensus LogP
1.11
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-3.2

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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