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CAS 87233-62-3 Emedastine Difumerate molecular structure lightbox
CAS RN: 87233-62-3

Emedastine Difumerate

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250705 1g In stock Inquiry
Batchno.20250626 250mg In stock Inquiry
Batchno.20250122 50mg In stock Inquiry
Batchno.20251228 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250806 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-196970
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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: 1g
  • 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 87233-62-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

87233-62-3 / bis((E)-but-2-enedioic acid);1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole

Standard CAS: 87233-62-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
87233-62-3
Multi CAS
Yes
Molecular Formula
C25H34N4O9
Molecular Weight
534.600000
Exact Mass
534.232579
InChI
InChI=1S/C17H26N4O.2C4H4O4/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20;2*5-3(6)1-2-4(7)8/h4-5,7-8H,3,6,9-14H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChIKey
FWLKKPKZQYVAFR-LVEZLNDCSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
4
Molar refractivity
139.38
TPSA
182.73

LogP / Solubility

WLOGP
1.64
MLOGP
1.48
XLogP3
1.64
Consensus LogP
1.59
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
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)
-4.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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