CAS RN: 1622217-00-8
2,4-Dichloropyridine-5-boronic acid pinacol ester
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.20251225 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1622217-00-8
- Purity/Analytical Methods: >99.0%
1622217-00-8 / 2,4-dichloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Basic Information
CAS
1622217-00-8
Multi CAS
No
Molecular Formula
C11H14BCl2NO2
Molecular Weight
274.000000
Exact Mass
273.049464
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2Cl)Cl
InChI
InChI=1S/C11H14BCl2NO2/c1-10(2)11(3,4)17-12(16-10)7-6-15-9(14)5-8(7)13/h5-6H,1-4H3
InChIKey
CLSAGFRLGTXEGF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
69.97
TPSA
31.35
LogP / Solubility
WLOGP
2.69
MLOGP
2.37
XLogP3
2.69
Consensus LogP
2.58
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly 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)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
Methyl 2-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate
- CAS RN: 1622217-20-2
- Product Code: SSC-069781
-
4,6-Dimethylpyridine-3-boronic Acid Pinacol Ester
- CAS RN: 1622217-32-6
- Product Code: SSC-069783
-
2,5-DIFLUOROPYRIDINE-4-BORONIC ACID, PINACOL ESTSER
- CAS RN: 1622217-35-9
- Product Code: starshine_CAS1622217-35-9
- Purity/Analytical method: >99.0%
-
(1R)-1-(2-METHYLPHENYL)BUTYLAMINE HYDROCHLORIDE
- CAS RN: 1622239-58-0
- Product Code: starshine_CAS1622239-58-0
- Purity/Analytical method: >99.0%
-
ethyl 4-bromo-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
- CAS RN: 1622303-50-7
- Product Code: SSC-069789
-
4-bromo-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
- CAS RN: 1622303-52-9
- Product Code: SSC-069790
![CAS 1622303-50-7 ethyl 4-bromo-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1622303-50-7.gif)
![CAS 1622303-52-9 4-bromo-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1622303-52-9.gif)