CAS RN: 3989-50-2
4-(Acetylamino)benzenesulfonic acid hydrazide
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.20250705 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS3989-50-2
- Purity/Analytical Methods: >99.0%
3989-50-2 / N-[4-(hydrazinesulfonyl)phenyl]acetamide
Basic Information
CAS
3989-50-2
Multi CAS
Yes
Molecular Formula
C8H11N3O3S
Molecular Weight
229.260000
Exact Mass
229.052112
InChI
InChI=1S/C8H11N3O3S/c1-6(12)10-7-2-4-8(5-3-7)15(13,14)11-9/h2-5,11H,9H2,1H3,(H,10,12)
InChIKey
PBCWYAIMPZBEGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
55.25
TPSA
101.29
LogP / Solubility
WLOGP
-0.2
MLOGP
-0.18
XLogP3
-0.4
Consensus LogP
-0.26
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-4.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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