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CAS 1354697-94-1 3-AMino-2-chloropyridine-5-boronic acid molecular structure lightbox
CAS RN: 1354697-94-1

3-AMino-2-chloropyridine-5-boronic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250227 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-043799
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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 1354697-94-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1354697-94-1 / (5-amino-6-chloro-3-pyridinyl)boronic acid

Standard CAS: 1354697-94-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1354697-94-1
Multi CAS
No
Molecular Formula
C5H6BClN2O2
Molecular Weight
172.380000
Exact Mass
172.021085
SMILES
B(C1=CC(=C(N=C1)Cl)N)(O)O
InChI
InChI=1S/C5H6BClN2O2/c7-5-4(8)1-3(2-9-5)6(10)11/h1-2,10-11H,8H2
InChIKey
JJIYFSZDCVYXTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
43.49
TPSA
79.37

LogP / Solubility

WLOGP
-1
MLOGP
-0.89
XLogP3
-1
Consensus LogP
-0.96
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.25
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.07
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.48

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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