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CAS 1402238-33-8 6-Isoproxy-5-methylpyridine-3-boronic acid molecular structure lightbox
CAS RN: 1402238-33-8

6-Isoproxy-5-methylpyridine-3-boronic acid

  • Product code: SSC-050747
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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 1402238-33-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1402238-33-8 / (5-methyl-6-propan-2-yloxy-3-pyridinyl)boronic acid

Standard CAS: 1402238-33-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1402238-33-8
Multi CAS
No
Molecular Formula
C9H14BNO3
Molecular Weight
195.030000
Exact Mass
195.106674
SMILES
B(C1=CC(=C(N=C1)OC(C)C)C)(O)O
InChI
InChI=1S/C9H14BNO3/c1-6(2)14-9-7(3)4-8(5-11-9)10(12)13/h4-6,12-13H,1-3H3
InChIKey
CDAZRJFZSURUSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.56
TPSA
62.58

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.13
XLogP3
-0.14
Consensus LogP
-0.14
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
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)
-4.01

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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