CAS RN: 1218791-34-4
2-(Benzyloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
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 | 5-7 business days | Inquiry |
- Product code: starshine_CAS1218791-34-4
- Purity/Analytical Methods: >99.0%
1218791-34-4 / 2-phenylmethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
Basic Information
CAS
1218791-34-4
Multi CAS
No
Molecular Formula
C17H21BN2O3
Molecular Weight
312.200000
Exact Mass
312.164523
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C17H21BN2O3/c1-16(2)17(3,4)23-18(22-16)14-10-19-15(20-11-14)21-12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3
InChIKey
QEAOMIPVGHEIFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
88.52
TPSA
53.47
LogP / Solubility
WLOGP
2.35
MLOGP
2.09
XLogP3
2.35
Consensus LogP
2.26
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
N-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)acetamide
- CAS RN: 1218791-37-7
- Product Code: SSC-024684
-
4-(4-Acetylpiperazino)phenylboronic acid, pinacol ester
- CAS RN: 1218791-38-8
- Product Code: SSC-024685
-
Benzyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate
- CAS RN: 1218791-42-4
- Product Code: starshine_CAS1218791-42-4
- Purity/Analytical method: >99.0%
-
N-tert-Butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
- CAS RN: 1218791-43-5
- Product Code: starshine_CAS1218791-43-5
- Purity/Analytical method: >99.0%
-
2-DiethylaMinopyriMidine-5-boronic acid, pinacol ester
- CAS RN: 1218791-45-7
- Product Code: SSC-024686
-
N-Isopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
- CAS RN: 1218791-46-8
- Product Code: SSC-024687
