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CAS 216393-63-4 5-ISOPROPYL-2-METHOXYBENZENEBORONIC ACID molecular structure lightbox
CAS RN: 216393-63-4

5-ISOPROPYL-2-METHOXYBENZENEBORONIC ACID

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250220 1g In stock Shanghai Inquiry
Batchno.20260624 250mg In stock Shanghai Inquiry
Batchno.20250805 5g In stock Shanghai Inquiry
  • Product code: SSC-103680
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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 216393-63-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

216393-63-4 / (2-methoxy-5-propan-2-ylphenyl)boronic acid

Standard CAS: 216393-63-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
216393-63-4
Multi CAS
No
Molecular Formula
C10H15BO3
Molecular Weight
194.040000
Exact Mass
194.111425
SMILES
B(C1=C(C=CC(=C1)C(C)C)OC)(O)O
InChI
InChI=1S/C10H15BO3/c1-7(2)8-4-5-10(14-3)9(6-8)11(12)13/h4-7,12-13H,1-3H3
InChIKey
UTKAEAGLVJFBMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.91
TPSA
49.69

LogP / Solubility

WLOGP
0.5
MLOGP
0.44
XLogP3
0.5
Consensus LogP
0.48
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
Class (SILICOS-IT)
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)
-3.55

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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