CAS RN: 849067-18-1
N-acetyl-2-carboxy Benzenesulfonamide
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.20250101 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS849067-18-1
- Purity/Analytical Methods: >99.0%
849067-18-1 / 2-(acetylsulfamoyl)benzoic acid
Basic Information
CAS
849067-18-1
Multi CAS
No
Molecular Formula
C9H9NO5S
Molecular Weight
243.240000
Exact Mass
243.020144
InChI
InChI=1S/C9H9NO5S/c1-6(11)10-16(14,15)8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKey
ADVANFQVCYCSNR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.4
TPSA
100.54
LogP / Solubility
WLOGP
0.21
MLOGP
0.19
XLogP3
0.2
Consensus LogP
0.2
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-4.05
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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