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CAS 223251-25-0 4-[2-(1-AZEPANYL)ETHOXY]BENZYL CHLORIDE HCL molecular structure lightbox
CAS RN: 223251-25-0

4-[2-(1-AZEPANYL)ETHOXY]BENZYL CHLORIDE HCL

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250610 100g Out of stock Inquiry
Batchno.20250805 10g In stock Tianjin Inquiry
Batchno.20250606 1g In stock Shanghai Inquiry
Batchno.20251024 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251112 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250214 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-108903
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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: 10g
  • 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 223251-25-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

223251-25-0 / 1-[2-[4-(chloromethyl)phenoxy]ethyl]azepane;hydrochloride

Standard CAS: 223251-25-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
223251-25-0
Multi CAS
No
Molecular Formula
C15H23Cl2NO
Molecular Weight
304.300000
Exact Mass
303.115670
SMILES
C1CCCN(CC1)CCOC2=CC=C(C=C2)CCl.Cl
InChI
InChI=1S/C15H22ClNO.ClH/c16-13-14-5-7-15(8-6-14)18-12-11-17-9-3-1-2-4-10-17;/h5-8H,1-4,9-13H2;1H
InChIKey
RMVQWASPAGLTRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.65
TPSA
12.47

LogP / Solubility

WLOGP
4.1
MLOGP
3.62
XLogP3
4.1
Consensus LogP
3.94
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66

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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