![CAS 452972-11-1 2-CHLORO-3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/452972-11-1.gif)
CAS RN: 452972-11-1
2-CHLORO-3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
- Product code: SSC-153065
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g
- Available purity: ≥97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
452972-11-1 / 2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Basic Information
CAS
452972-11-1
Multi CAS
Yes
Molecular Formula
C11H15BCLNO2
Molecular Weight
239.510000
Exact Mass
239.088437
InChI
InChI=1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13/h5-7H,1-4H3
InChIKey
XFZFMAUUZHBQSS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
64.96
TPSA
31.35
LogP / Solubility
WLOGP
2.03
MLOGP
1.79
XLogP3
2.03
Consensus LogP
1.95
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 452972-13-3 3-BROMO-5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-BROMO-5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE
- CAS RN: 452972-13-3
- Product Code: SSC-153067
-
4-CHLOROPYRIDIN-3-YLBORONIC ACID, PINACOL ESTER 98
- CAS RN: 452972-15-5
- Product Code: SSC-153069
-
1(3H)-Isobenzofuranone,6-(hydroxymethyl)-(9CI)
- CAS RN: 452978-21-1
- Product Code: SSC-153070
-
4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine(WXC05190)
- CAS RN: 453510-84-4
- Product Code: SSC-153096
-
(9aS)-7,8,9,9a-Tetrahydro-9a-hydroxy-6-methyl-9-(1-methylethenyl)-2-(1-methylethyl)-1H-phenalen-1-one
- CAS RN: 453518-30-4
- Product Code: starshine_CAS453518-30-4
- Purity/Analytical method: >99.0%
-
3-Bromo-6-methoxy-imidazo[1,2-b]pyridazine
- CAS RN: 453548-63-5
- Product Code: starshine_CAS453548-63-5
- Purity/Analytical method: >99.0%
![CAS 452972-13-3 3-BROMO-5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/452972-13-3.gif)
![CAS 453510-84-4 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine(WXC05190) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/453510-84-4.gif)
![CAS 453548-63-5 3-Bromo-6-methoxy-imidazo[1,2-b]pyridazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/453548-63-5.gif)