![CAS 2304634-02-2 4-[4-(4,4,5,5-TetraMethyl-[1,3,2]dioxaborolan-2-yl)-benzenesulfonyl]piperidine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92704367.gif)
CAS RN: 2304634-02-2
4-[4-(4,4,5,5-TetraMethyl-[1,3,2]dioxaborolan-2-yl)-benzenesulfonyl]piperidine hydrochloride
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.20260627 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-111908
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2304634-02-2 / 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpiperidine;hydrochloride
Basic Information
CAS
2304634-02-2
Multi CAS
No
Molecular Formula
C17H27BClNO4S
Molecular Weight
387.700000
Exact Mass
387.144237
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S(=O)(=O)C3CCNCC3.Cl
InChI
InChI=1S/C17H26BNO4S.ClH/c1-16(2)17(3,4)23-18(22-16)13-5-7-14(8-6-13)24(20,21)15-9-11-19-12-10-15;/h5-8,15,19H,9-12H2,1-4H3;1H
InChIKey
KENNGXOYTBZOOX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
102.48
TPSA
64.63
LogP / Solubility
WLOGP
1.93
MLOGP
1.72
XLogP3
1.93
Consensus LogP
1.86
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly 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)
-3.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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