CAS RN: 301356-95-6
CID5721353
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250315 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260209 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250522 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250717 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250402 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251023 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260519 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS301356-95-6
- Purity/Analytical Methods: >99.0%
301356-95-6 / (2S)-2-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]butanedioic acid
Basic Information
CAS
301356-95-6
Multi CAS
Yes
Molecular Formula
BC15H9O6Rn2S2
Molecular Weight
457.300000
Exact Mass
455.908540
InChI
InChI=1S/C15H9BrN2O6S2/c16-5-1-2-7-6(3-5)10(12(21)17-7)11-13(22)18(15(25)26-11)8(14(23)24)4-9(19)20/h1-3,8,22H,4H2,(H,19,20)(H,23,24)
InChIKey
UMZWNADQRDCKII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
11
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
3
Molar refractivity
96.17
TPSA
129.19
LogP / Solubility
WLOGP
1.21
MLOGP
1.09
XLogP3
1.1
Consensus LogP
1.13
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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