CAS RN: 69262-38-0
3-acetyl-4-hydroxybenzenesulfonic 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.20251027 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS69262-38-0
- Purity/Analytical Methods: >99.0%
69262-38-0 / 3-acetyl-4-hydroxybenzenesulfonic acid
Basic Information
CAS
69262-38-0
Multi CAS
No
Molecular Formula
C8H8O5S
Molecular Weight
216.210000
Exact Mass
216.009245
InChI
InChI=1S/C8H8O5S/c1-5(9)7-4-6(14(11,12)13)2-3-8(7)10/h2-4,10H,1H3,(H,11,12,13)
InChIKey
KADHMFYPUBYVBM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.93
TPSA
91.67
LogP / Solubility
WLOGP
0.84
MLOGP
0.74
XLogP3
0.8
Consensus LogP
0.79
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-3.44
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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