![CAS 792953-99-2 5-[(ETHYLAMINO)SULFONYL]-2-METHYLBENZOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0341167.gif)
CAS RN: 792953-99-2
5-[(ETHYLAMINO)SULFONYL]-2-METHYLBENZOIC ACID
- Product code: SSC-188499
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
792953-99-2 / 5-(ethylsulfamoyl)-2-methylbenzoic acid
Basic Information
CAS
792953-99-2
Multi CAS
No
Molecular Formula
C10H13NO4S
Molecular Weight
243.280000
Exact Mass
243.056529
InChI
InChI=1S/C10H13NO4S/c1-3-11-16(14,15)8-5-4-7(2)9(6-8)10(12)13/h4-6,11H,3H2,1-2H3,(H,12,13)
InChIKey
SVJBFKVNUXDLJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59
TPSA
83.47
LogP / Solubility
WLOGP
0.99
MLOGP
0.88
XLogP3
1.1
Consensus LogP
0.99
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-3.5
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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![CAS 792954-15-5 (2E)-2-[2-(3-CHLOROPHENYL)-2-OXOETHYLIDENE]-1,3-THIAZOLIDIN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3479531.gif)
