CAS RN: 1333-07-9
Toluenesulfonamide
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260129 | 250g / 1kg | Out of stock | 720 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250715 | 250g / 1kg | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250928 | 250g / 1kg / 5kg | Confirm by inquiry | Shanghai, Guangdong | Inquiry |
- Product code: starshine_CAS1333-07-9
- Purity/Analytical Methods: >99.0%
1333-07-9 / 2-methylbenzenesulfonamide;4-methylbenzenesulfonamide
Basic Information
CAS
1333-07-9
Multi CAS
No
Molecular Formula
C14H18N2O4S2
Molecular Weight
342.400000
Exact Mass
342.070799
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N.CC1=CC=CC=C1S(=O)(=O)N
InChI
InChI=1S/2C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10;1-6-4-2-3-5-7(6)11(8,9)10/h2*2-5H,1H3,(H2,8,9,10)
InChIKey
VXGAPBLISGTEKE-UHFFFAOYSA-N
Physical Properties
Physical Description
Dry Powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
85.1
TPSA
120.32
LogP / Solubility
WLOGP
1.28
MLOGP
1.15
XLogP3
1.28
Consensus LogP
1.24
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 123 of 123 companies. For more detailed information, please visit ECHA C&L website.
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