CAS RN: 97-44-9
ACETARSONE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251023 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS97-44-9
- Purity/Analytical Methods: >99.0%
97-44-9 / (3-acetamido-4-hydroxyphenyl)arsonic acid
Basic Information
CAS
97-44-9
Multi CAS
Yes
Molecular Formula
AsC8H10NO5
Molecular Weight
275.090000
Exact Mass
274.977492
InChI
InChI=1S/C8H10AsNO5/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)(H2,13,14,15)
InChIKey
ODFJOVXVLFUVNQ-UHFFFAOYSA-N
Physical Properties
Melting Point
225-227 ºC
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
4
Molar refractivity
52.92
TPSA
106.86
LogP / Solubility
WLOGP
-1.09
MLOGP
-0.95
XLogP3
-1.09
Consensus LogP
-1.04
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.78
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-5.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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N-(2-hydroxy-5-nitrophenyl)acetamide
- CAS RN: 97-60-9
- Product Code: starshine_CAS97-60-9
- Purity/Analytical method: >99.0%
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