CAS RN: 1449132-62-0
4-(4-Methylpiperidin-1-ylsulfonyl)phenylboronic 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.20250426 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1449132-62-0
- Purity/Analytical Methods: >99.0%
1449132-62-0 / [4-(4-methylpiperidin-1-yl)sulfonylphenyl]boronic acid
Basic Information
CAS
1449132-62-0
Multi CAS
No
Molecular Formula
C12H18BNO4S
Molecular Weight
283.160000
Exact Mass
283.104959
SMILES
B(C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C)(O)O
InChI
InChI=1S/C12H18BNO4S/c1-10-6-8-14(9-7-10)19(17,18)12-4-2-11(3-5-12)13(15)16/h2-5,10,15-16H,6-9H2,1H3
InChIKey
ARVNTVVSGLEIAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.42
TPSA
77.84
LogP / Solubility
WLOGP
-0.21
MLOGP
-0.18
XLogP3
-0.21
Consensus LogP
-0.2
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-4.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1449134-30-8 N-(3-Hydroxy-propyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
N-(3-Hydroxy-propyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide
- CAS RN: 1449134-30-8
- Product Code: starshine_CAS1449134-30-8
- Purity/Analytical method: >99.0%
-
5-(N-BOC-Amino)-2-fluorophenylboronic acid, pinacol ester
- CAS RN: 1449135-41-4
- Product Code: SSC-056285
-
(3-FLUORO-4-(4-OXOPIPERIDIN-1-YL)PHENYL)BORONIC ACID PINACOL ESTER
- CAS RN: 1449144-86-8
- Product Code: starshine_CAS1449144-86-8
- Purity/Analytical method: >99.0%
-
3-(Di-n-propylsulfamoyl)benzeneboronic acid
- CAS RN: 1449145-31-6
- Product Code: starshine_CAS1449145-31-6
- Purity/Analytical method: >99.0%
-
-
![CAS 1449134-30-8 N-(3-Hydroxy-propyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72693632(1).gif)
