CAS RN: 84994-24-1
MAEM
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.20250313 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS84994-24-1
- Purity/Analytical Methods: >99.0%
84994-24-1 / 1,3-benzothiazol-2-yl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
Basic Information
CAS
84994-24-1
Multi CAS
Yes
Molecular Formula
C13H10N4O3S2
Molecular Weight
334.400000
Exact Mass
334.019433
InChI
InChI=1S/C13H10N4O3S2/c1-19-17-10(8-6-21-12(14)15-8)11(18)20-13-16-7-4-2-3-5-9(7)22-13/h2-6H,1H3,(H2,14,15)/b17-10+
InChIKey
KMSJGSGYXZMCEW-LICLKQGHSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
14
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
1
Molar refractivity
85.33
TPSA
99.69
LogP / Solubility
WLOGP
2.29
MLOGP
2.03
XLogP3
3.6
Consensus LogP
2.64
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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