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CAS 177190-68-0 2-(BENZYLOXY)-3-METHYLPHENYLBORONIC ACID molecular structure lightbox
CAS RN: 177190-68-0

2-(BENZYLOXY)-3-METHYLPHENYLBORONIC ACID

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260107 1g In stock Shanghai Inquiry
Batchno.20251108 250mg In stock Shanghai Inquiry
Batchno.20260516 5g In stock Shanghai Inquiry
  • Product code: SSC-077462
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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 177190-68-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

177190-68-0 / (3-methyl-2-phenylmethoxyphenyl)boronic acid

Standard CAS: 177190-68-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
177190-68-0
Multi CAS
No
Molecular Formula
C14H15BO3
Molecular Weight
242.080000
Exact Mass
242.111425
SMILES
B(C1=C(C(=CC=C1)C)OCC2=CC=CC=C2)(O)O
InChI
InChI=1S/C14H15BO3/c1-11-6-5-9-13(15(16)17)14(11)18-10-12-7-3-2-4-8-12/h2-9,16-17H,10H2,1H3
InChIKey
UULANZGAYLJKDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.78
TPSA
49.69

LogP / Solubility

WLOGP
1.25
MLOGP
1.11
XLogP3
1.25
Consensus LogP
1.2
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-3.31

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

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