CAS RN: 1320397-15-6
2-Chloro-6-methylpyridine-4-boronic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260302 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1320397-15-6
- Purity/Analytical Methods: >99.0%
1320397-15-6 / (2-chloro-6-methyl-4-pyridinyl)boronic acid
Basic Information
CAS
1320397-15-6
Multi CAS
No
Molecular Formula
C6H7BClNO2
Molecular Weight
171.390000
Exact Mass
171.025836
SMILES
B(C1=CC(=NC(=C1)Cl)C)(O)O
InChI
InChI=1S/C6H7BClNO2/c1-4-2-5(7(10)11)3-6(8)9-4/h2-3,10-11H,1H3
InChIKey
OUDHMBLTDQMBOV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.81
TPSA
53.35
LogP / Solubility
WLOGP
-0.28
MLOGP
-0.25
XLogP3
-0.28
Consensus LogP
-0.27
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
Class (SILICOS-IT)
Very 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)
-3.96
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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