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CAS 1150114-42-3 2-Isopropoxypyridine-3-boronic acid molecular structure lightbox
CAS RN: 1150114-42-3

2-Isopropoxypyridine-3-boronic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250802 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-014707
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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 1150114-42-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1150114-42-3 / (2-propan-2-yloxy-3-pyridinyl)boronic acid

2-ISOPROPOXYPYRIDINE-3-BORONIC ACID | (2-Isopropoxypyridin-3-yl)boronic acid | MFCD11855840

Standard CAS: 1150114-42-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1150114-42-3
Multi CAS
Yes
Molecular Formula
C8H12BNO3
Molecular Weight
181.000000
Exact Mass
181.091023
SMILES
B(C1=C(N=CC=C1)OC(C)C)(O)O
InChI
InChI=1S/C8H12BNO3/c1-6(2)13-8-7(9(11)12)4-3-5-10-8/h3-6,11-12H,1-2H3
InChIKey
YUKJNDOHNQLKCG-UHFFFAOYSA-N
Synonyms
2-ISOPROPOXYPYRIDINE-3-BORONIC ACID (2-Isopropoxypyridin-3-yl)boronic acid MFCD11855840 (2-propan-2-yloxypyridin-3-yl)boronic acid Boronic acid, B-[2-(1-methylethoxy)-3-pyridinyl]-

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.83
TPSA
62.58

LogP / Solubility

WLOGP
-0.45
MLOGP
-0.4
XLogP3
-0.45
Consensus LogP
-0.43
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
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)
-4.14

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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