CAS RN: 711019-86-2
MRS 2578
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250314 | 10mg / 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250303 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250825 | 10mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260528 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250810 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20251220 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250102 | 25mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250221 | 50mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: SSC-180787
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
711019-86-2 / 1-(3-isothiocyanatophenyl)-3-[4-[(3-isothiocyanatophenyl)carbamothioylamino]butyl]thiourea
Basic Information
CAS
711019-86-2
Multi CAS
Yes
Molecular Formula
C20H20N6S4
Molecular Weight
472.700000
Exact Mass
472.063229
InChI
InChI=1S/C20H20N6S4/c27-13-23-15-5-3-7-17(11-15)25-19(29)21-9-1-2-10-22-20(30)26-18-8-4-6-16(12-18)24-14-28/h3-8,11-12H,1-2,9-10H2,(H2,21,25,29)(H2,22,26,30)
InChIKey
QOHNRGHTJPFMSL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
4
Molar refractivity
139.94
TPSA
72.84
LogP / Solubility
WLOGP
5.21
MLOGP
4.62
XLogP3
6.3
Consensus LogP
5.38
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.14
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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