CAS RN: 2223035-77-4
2-(Ethoxy)pyrimidine-5-boronic acid pinacol ester
- Product code: SSC-106993
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2223035-77-4 / 2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
Basic Information
CAS
2223035-77-4
Multi CAS
No
Molecular Formula
C12H19BN2O3
Molecular Weight
250.100000
Exact Mass
250.148873
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)OCC
InChI
InChI=1S/C12H19BN2O3/c1-6-16-10-14-7-9(8-15-10)13-17-11(2,3)12(4,5)18-13/h7-8H,6H2,1-5H3
InChIKey
LRZCARRDCNWOIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
68.92
TPSA
53.47
LogP / Solubility
WLOGP
1.17
MLOGP
1.04
XLogP3
1.17
Consensus LogP
1.13
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately 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)
-3.41
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
-
2-Chloro-4-bromo-5-methylphenylboronic acid pinacol ester
- CAS RN: 2223037-58-7
- Product Code: starshine_CAS2223037-58-7
- Purity/Analytical method: >99.0%
-
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
