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CAS 26487-67-2 1-(2-Chloroethyl)-1H-hexahydroazepine Hydrochloride molecular structure lightbox
CAS RN: 26487-67-2

1-(2-Chloroethyl)-1H-hexahydroazepine Hydrochloride

Product Availability

Choose a grade to view its available package options.

10 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260111 100g Out of stock Inquiry
Batchno.20250321 10g In stock Inquiry
Batchno.20251024 1g In stock Inquiry
Batchno.20260310 25g In stock Inquiry
Batchno.20250128 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260125 100g In stock Shanghai Inquiry
Batchno.20250519 10g In stock Shanghai Inquiry
Batchno.20251013 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250731 25g In stock Shanghai Inquiry
Batchno.20250807 5g In stock Shanghai Inquiry
  • Product code: SSC-124310
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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: 25g
  • Available purity: ≥98%
  • 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 26487-67-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

26487-67-2 / 1-(2-chloroethyl)azepan-1-ium chloride

Standard CAS: 26487-67-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26487-67-2
Multi CAS
No
Molecular Formula
C8H17Cl2N
Molecular Weight
198.130000
Exact Mass
197.073805
SMILES
C1CCC[NH+](CC1)CCCl.[Cl-]
InChI
InChI=1S/C8H16ClN.ClH/c9-5-8-10-6-3-1-2-4-7-10;/h1-8H2;1H
InChIKey
ZQDSOUPBYJIPNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.75
TPSA
4.44

LogP / Solubility

WLOGP
-2.31
MLOGP
-2.03
XLogP3
-2.31
Consensus LogP
-2.22
Log S (ESOL)
0.52
Class (ESOL)
Highly soluble
Log S (Ali)
0.48
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.73
Class (SILICOS-IT)
Highly 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)
-5.57

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
1.5

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