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CAS 1309982-33-9 3,5-DICHLOROPYRIDINE-2-BORONIC ACID molecular structure lightbox
CAS RN: 1309982-33-9

3,5-DICHLOROPYRIDINE-2-BORONIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260414 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1309982-33-9
  • Purity/Analytical Methods: >99.0%
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1309982-33-9 / (3,5-dichloro-2-pyridinyl)boronic acid

Standard CAS: 1309982-33-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1309982-33-9
Multi CAS
No
Molecular Formula
C5H4BCl2NO2
Molecular Weight
191.810000
Exact Mass
190.971214
SMILES
B(C1=C(C=C(C=N1)Cl)Cl)(O)O
InChI
InChI=1S/C5H4BCl2NO2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2,10-11H
InChIKey
CCCOOLMYLSYCLX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.08
TPSA
53.35

LogP / Solubility

WLOGP
0.07
MLOGP
0.06
XLogP3
0.07
Consensus LogP
0.07
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
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)
-3.84

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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