CAS RN: 214360-77-7
3-Pinacolateboryl-1H-pyrrole
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260305 | 1g | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20260223 | 250mg | In stock | Shanghai, Shenzhen, Chengdu | Inquiry | |
| Batchno.20251205 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260414 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20250526 | 5g | In stock | Shanghai, Chengdu | Inquiry |
- Product code: SSC-102788
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: 0.25g, 1g, 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.
214360-77-7 / 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole
Basic Information
CAS
214360-77-7
Multi CAS
No
Molecular Formula
C10H16BNO2
Molecular Weight
193.050000
Exact Mass
193.127409
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CNC=C2
InChI
InChI=1S/C10H16BNO2/c1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8/h5-7,12H,1-4H3
InChIKey
VLOXXHSBLUSPCW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.51
TPSA
34.25
LogP / Solubility
WLOGP
1.31
MLOGP
1.16
XLogP3
1.31
Consensus LogP
1.26
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 214360-81-3 5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-indan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/214360-81-3.gif)
