CAS RN: 23510-18-1
benzyl-(2-chloroethyl)-methyl-azanium chloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251024 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-113708
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, 5g
- Available purity: >97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
23510-18-1 / benzyl-(2-chloroethyl)-methylazanium chloride
Basic Information
CAS
23510-18-1
Multi CAS
No
Molecular Formula
C10H15Cl2N
Molecular Weight
220.140000
Exact Mass
219.058155
SMILES
C[NH+](CCCl)CC1=CC=CC=C1.[Cl-]
InChI
InChI=1S/C10H14ClN.ClH/c1-12(8-7-11)9-10-5-3-2-4-6-10;/h2-6H,7-9H2,1H3;1H
InChIKey
PYIXYEMKFUOLDQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.62
TPSA
4.44
LogP / Solubility
WLOGP
-2.06
MLOGP
-1.81
XLogP3
-2.06
Consensus LogP
-1.98
Log S (ESOL)
0.01
Class (ESOL)
Highly soluble
Log S (Ali)
0.12
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.14
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)
-5.52
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
2
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