![CAS 892505-41-8 [2-[(Methylthio)(2H-pyrrol-2-ylidene)methyl]-1H-pyrrole](difluoroborane) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m2609-jpgcontextbwfzdgvyfhjvb3r8ndi3nzd8aw1hz2uvanblz3xoodgvadaxlzg5mze1otmwmjc2mtqvtti2mdkuanbnfde1nzi4yjm3ndk2odjlmgewzwqwndqzmtu2nmviyjk1odgwzthlzmvjnwexzmqynta0otqxntm0zdgxzwziztc.jpeg)
CAS RN: 892505-41-8
[2-[(Methylthio)(2H-pyrrol-2-ylidene)methyl]-1H-pyrrole](difluoroborane)
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250811 | 200mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-201139
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 5 In Stock | Beijing | Inquiry |
| 10g | >95% | 5 In Stock | Hong Kong | Inquiry |
892505-41-8 / 2,2-difluoro-8-methylsulfanyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
Basic Information
CAS
892505-41-8
Multi CAS
Yes
Molecular Formula
BC10F2H9N2S
Molecular Weight
238.070000
Exact Mass
238.054756
InChI
InChI=1S/C10H9BF2N2S/c1-16-10-8-4-2-6-14(8)11(12,13)15-7-3-5-9(10)15/h2-7H,1H3
InChIKey
OSUYHKLOJHHXAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
63.7
TPSA
7.94
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
2.41
Consensus LogP
2.31
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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