CAS RN: 933986-97-1
6-(PYRROLIDIN-1-YL)PYRIDINE-3-BORONIC ACID, PINACOL ESTER
- Product code: SSC-207567
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
933986-97-1 / 2-pyrrolidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Basic Information
CAS
933986-97-1
Multi CAS
No
Molecular Formula
BC15H23N2O2
Molecular Weight
274.170000
Exact Mass
274.185258
InChI
InChI=1S/C15H23BN2O2/c1-14(2)15(3,4)20-16(19-14)12-7-8-13(17-11-12)18-9-5-6-10-18/h7-8,11H,5-6,9-10H2,1-4H3
InChIKey
HGBBKKWVSQBIMM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
81.4
TPSA
34.59
LogP / Solubility
WLOGP
1.98
MLOGP
1.75
XLogP3
1.98
Consensus LogP
1.9
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
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
1.5
Customers Also Viewed
-
-
-
Quinoline, 2-[(4R)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-
- CAS RN: 933992-48-4
- Product Code: starshine_CAS933992-48-4
- Purity/Analytical method: >99.0%
-
(R)-4-Isopropyl-2-(quinolin-2-yl)-4,5-dihydrooxazole
- CAS RN: 933992-49-5
- Product Code: SSC-207570
-
(5-Bromopicolinoyl)piperidine, (5-Bromopyridin-2-yl)(piperidin-1-yl)methanone
- CAS RN: 934000-33-6
- Product Code: starshine_CAS934000-33-6
- Purity/Analytical method: >99.0%
-
1-BROMOETHYNYL-3-CHLOROBENZENE
- CAS RN: 934001-82-8
- Product Code: starshine_CAS934001-82-8
- Purity/Analytical method: >99.0%
![CAS 933992-48-4 Quinoline, 2-[(4R)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/933992-48-4.gif)
