CAS RN: 37028-85-6
4-(4-MethylphenylsulfonaMido)benzoic 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.20260210 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS37028-85-6
- Purity/Analytical Methods: >99.0%
37028-85-6 / 4-[(4-methylphenyl)sulfonylamino]benzoic acid
Basic Information
CAS
37028-85-6
Multi CAS
No
Molecular Formula
C14H13NO4S
Molecular Weight
291.320000
Exact Mass
291.056529
InChI
InChI=1S/C14H13NO4S/c1-10-2-8-13(9-3-10)20(18,19)15-12-6-4-11(5-7-12)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKey
ZEUVKKKFDVRMIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.39
TPSA
83.47
LogP / Solubility
WLOGP
2.49
MLOGP
2.21
XLogP3
2.3
Consensus LogP
2.33
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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