CAS RN: 331862-41-0
IMR-1A
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250808 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250218 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251109 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260111 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250325 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250527 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS331862-41-0
- Purity/Analytical Methods: >99.0%
331862-41-0 / 2-[2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
Basic Information
CAS
331862-41-0
Multi CAS
Yes
Molecular Formula
C13H11NO5S2
Molecular Weight
325.400000
Exact Mass
325.007865
InChI
InChI=1S/C13H11NO5S2/c1-18-9-4-7(2-3-8(9)19-6-11(15)16)5-10-12(17)14-13(20)21-10/h2-5H,6H2,1H3,(H,15,16)(H,14,17,20)/b10-5+
InChIKey
DVBJNSKWHSGTDK-BJMVGYQFSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.15
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
82.43
TPSA
84.86
LogP / Solubility
WLOGP
1.65
MLOGP
1.46
XLogP3
2.3
Consensus LogP
1.8
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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