![CAS 914606-98-7 2-Propanesulfonamide, N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/914606-98-7.gif)
CAS RN: 914606-98-7
2-Propanesulfonamide, N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250809 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS914606-98-7
- Purity/Analytical Methods: >99.0%
914606-98-7 / N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propane-2-sulfonamide
Basic Information
CAS
914606-98-7
Multi CAS
No
Molecular Formula
BC15H24NO4S
Molecular Weight
325.200000
Exact Mass
325.151910
InChI
InChI=1S/C15H24BNO4S/c1-11(2)22(18,19)17-13-9-7-12(8-10-13)16-20-14(3,4)15(5,6)21-16/h7-11,17H,1-6H3
InChIKey
DIHPCBICXLFFQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
89.84
TPSA
64.63
LogP / Solubility
WLOGP
2.14
MLOGP
1.89
XLogP3
2.14
Consensus LogP
2.06
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19
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
2.5
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