CAS RN: 2223037-58-7
2-Chloro-4-bromo-5-methylphenylboronic 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.20260627 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2223037-58-7
- Purity/Analytical Methods: >99.0%
2223037-58-7 / 2-(4-bromo-2-chloro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
2223037-58-7
Multi CAS
No
Molecular Formula
C13H17BBrClO2
Molecular Weight
331.440000
Exact Mass
330.019350
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2Cl)Br)C
InChI
InChI=1S/C13H17BBrClO2/c1-8-6-9(11(16)7-10(8)15)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3
InChIKey
ZNCFRJIJMLOYHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
79.61
TPSA
18.46
LogP / Solubility
WLOGP
3.71
MLOGP
3.28
XLogP3
3.71
Consensus LogP
3.57
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11
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
-
2-fluoro-6-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- CAS RN: 2223043-31-8
- Product Code: starshine_CAS2223043-31-8
- Purity/Analytical method: >99.0%
-
tert-butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperidine-1-carboxylate
- CAS RN: 2223046-23-7
- Product Code: SSC-107010
-
2-Amino-3-methylphenylboronic acid pinacol ester
- CAS RN: 2223047-06-9
- Product Code: SSC-107014
-
1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- CAS RN: 2223047-60-5
- Product Code: SSC-107015
-
6-(TERT-BUTYL)PYRIDINE-3-BORONIC ACID PINACOL ESTER
- CAS RN: 2223047-95-6
- Product Code: SSC-107016
-
3-BROMO-2-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
- CAS RN: 2223051-53-2
- Product Code: SSC-107031
