![CAS 913835-54-8 4-[N-METHYL-N-(4-METHOXYBENZYL)SULPHAMOYL]BENZENEBORONIC ACID 96 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/913835-54-8.gif)
CAS RN: 913835-54-8
4-[N-METHYL-N-(4-METHOXYBENZYL)SULPHAMOYL]BENZENEBORONIC ACID 96
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.20251126 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS913835-54-8
- Purity/Analytical Methods: >99.0%
913835-54-8 / [4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]boronic acid
Basic Information
CAS
913835-54-8
Multi CAS
Yes
Molecular Formula
BC15H18NO5S
Molecular Weight
335.200000
Exact Mass
335.099874
InChI
InChI=1S/C15H18BNO5S/c1-17(11-12-3-7-14(22-2)8-4-12)23(20,21)15-9-5-13(6-10-15)16(18)19/h3-10,18-19H,11H2,1-2H3
InChIKey
ZBCCMISCUYAJDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
87.91
TPSA
87.07
LogP / Solubility
WLOGP
0.2
MLOGP
0.19
XLogP3
0.2
Consensus LogP
0.2
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.63
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
Customers Also Viewed
-
![CAS 913835-55-9 4-[N-ETHYL-N-(4-METHOXYBENZYL)SULPHAMOYL]BENZENEBORONIC ACID 98 molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-[N-ETHYL-N-(4-METHOXYBENZYL)SULPHAMOYL]BENZENEBORONIC ACID 98
- CAS RN: 913835-55-9
- Product Code: SSC-204381
-
3-FLUORO-4-[(N-METHOXY-N-METHYL)CARBAMOYL]BENZENEBORONIC ACID 98
- CAS RN: 913835-59-3
- Product Code: SSC-204382
-
4-(N’-HYDROXYCARBAMIMIDOYL)BENZENEBORONIC ACID 95
- CAS RN: 913835-61-7
- Product Code: starshine_CAS913835-61-7
- Purity/Analytical method: >99.0%
-
-
-
6-CYANO-1H-INDOL-2-YLBORONIC ACID, N-BOC PROTECTED 96
- CAS RN: 913835-67-3
- Product Code: SSC-204385
![CAS 913835-55-9 4-[N-ETHYL-N-(4-METHOXYBENZYL)SULPHAMOYL]BENZENEBORONIC ACID 98 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/913835-55-9.gif)
![CAS 913835-59-3 3-FLUORO-4-[(N-METHOXY-N-METHYL)CARBAMOYL]BENZENEBORONIC ACID 98 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/913835-59-3.gif)
![CAS 913835-63-9 Imidazo[1,2-a]pyridine-6-boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/913835-63-9.gif)
