![CAS 616880-14-9 N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3557-jpgcontextbwfzdgvyfhjvb3r8mze5mdj8aw1hz2uvanblz3xonmuvadm0lzg5mzi3mtq0mtqxmtavvdm1ntcuanbnfgm2mjzmnme3yjk5ywmyodlin2jkzjbmnjmwnguwodnknjdmodcwntrmy2e3mzq5yzdlngeznjvjnmjmnwvhmdm.jpeg)
CAS RN: 616880-14-9
N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
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.20250603 | 200mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: SSC-170623
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 | Shanghai | Inquiry |
616880-14-9 / N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
Basic Information
CAS
616880-14-9
Multi CAS
Yes
Molecular Formula
BC13H20NO4S
Molecular Weight
297.200000
Exact Mass
297.120610
InChI
InChI=1S/C13H20BNO4S/c1-12(2)13(3,4)19-14(18-12)10-8-6-7-9-11(10)15-20(5,16)17/h6-9,15H,1-5H3
InChIKey
ADAOINPTCZWNBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
80.62
TPSA
64.63
LogP / Solubility
WLOGP
1.36
MLOGP
1.21
XLogP3
1.36
Consensus LogP
1.31
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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)
-3.57
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
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![CAS 680596-79-6 8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro[4.5]dec-7-ene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3566-jpgcontextbwfzdgvyfhjvb3r8mzq2odv8aw1hz2uvanblz3xom2uvadnilzg5mzi3mtq2mta3mtgvvdm1njyuanbnfduynmrmmje5njriowi1ndc2mtazyjk0mmvmztaxntk3yza5nmjlmdgwmjbhmdewntq5ngrjzwe3njiyztrmyzk.jpeg)
