CAS RN: 781661-94-7

YM155

Product Availability

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11 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260128 100mg In stock Inquiry
Batchno.20250118 25mg In stock Inquiry
Batchno.20251113 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250521 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250626 100mg Out of stock 8-10 business days Inquiry
Batchno.20250326 10mg In stock Shanghai Inquiry
Batchno.20260212 1mg In stock Shanghai Inquiry
Batchno.20250510 250mg In stock Shanghai Inquiry
Batchno.20250609 25mg In stock Shanghai Inquiry
Batchno.20260111 50mg In stock Shanghai, Wuhan Inquiry
Batchno.20260522 5mg In stock Shanghai, Shandong Inquiry
  • Product code: SSC-187659
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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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 781661-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

781661-94-7 / 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione bromide

Standard CAS: 781661-94-7 Multi CAS: Yes

Basic Information

CAS
781661-94-7
Multi CAS
Yes
Molecular Formula
BC20H19O3Rn4
Molecular Weight
443.300000
Exact Mass
442.064050
InChI
InChI=1S/C20H19N4O3.BrH/c1-13-23(9-10-27-2)17-18(24(13)12-14-11-21-7-8-22-14)20(26)16-6-4-3-5-15(16)19(17)25;/h3-8,11H,9-10,12H2,1-2H3;1H/q+1;/p-1
InChIKey
QBIYUDDJPRGKNJ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
95.68
TPSA
77.96

LogP / Solubility

WLOGP
-1.65
MLOGP
-1.42
XLogP3
-1.65
Consensus LogP
-1.57
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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