![CAS 926248-01-3 3-[(dimethylamino)sulfonyl]-4-methylbenzoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/926248-01-3.gif)
CAS RN: 926248-01-3
3-[(dimethylamino)sulfonyl]-4-methylbenzoic acid
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.20250510 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS926248-01-3
- Purity/Analytical Methods: >99.0%
926248-01-3 / 3-(dimethylsulfamoyl)-4-methylbenzoic acid
Basic Information
CAS
926248-01-3
Multi CAS
No
Molecular Formula
C10H13NO4S
Molecular Weight
243.280000
Exact Mass
243.056529
InChI
InChI=1S/C10H13NO4S/c1-7-4-5-8(10(12)13)6-9(7)16(14,15)11(2)3/h4-6H,1-3H3,(H,12,13)
InChIKey
RMMRRQKZWHODFF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.01
TPSA
74.68
LogP / Solubility
WLOGP
0.94
MLOGP
0.84
XLogP3
1
Consensus LogP
0.93
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately 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)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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