CAS RN: 229009-41-0
(4-PYRROLIDIN-1-YLPHENYL)BORONIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260610 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-111460
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
229009-41-0 / (4-pyrrolidin-1-ylphenyl)boronic acid
Basic Information
CAS
229009-41-0
Multi CAS
No
Molecular Formula
C10H14BNO2
Molecular Weight
191.040000
Exact Mass
191.111759
SMILES
B(C1=CC=C(C=C1)N2CCCC2)(O)O
InChI
InChI=1S/C10H14BNO2/c13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12/h3-6,13-14H,1-2,7-8H2
InChIKey
HNEBXPPPIFWGHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.71
TPSA
43.7
LogP / Solubility
WLOGP
-0.03
MLOGP
-0.03
XLogP3
-0.03
Consensus LogP
-0.03
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
Class (SILICOS-IT)
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)
-3.91
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 229016-73-3 PyridiniuM, 4-[2-[[(6R,7R)-2-carboxy-7-[[(2Z)-2-(ethoxyiMino)-2-[5-(phosphonoaMino)-1,2,4-thiadiazol-3-yl]acetyl]aMino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-Methyl-, inner salt molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/229016-73-3.gif)