![CAS 5555-48-6 1-[(AMMONIOOXY)METHYL]-2-CHLOROBENZENE CHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5555-48-6.gif)
CAS RN: 5555-48-6
1-[(AMMONIOOXY)METHYL]-2-CHLOROBENZENE CHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250508 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-163470
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
5555-48-6 / (2-chlorophenyl)methoxyazanium chloride
Basic Information
CAS
5555-48-6
Multi CAS
Yes
Molecular Formula
C7H9CL2NO
Molecular Weight
194.060000
Exact Mass
193.006119
InChI
InChI=1S/C7H8ClNO.ClH/c8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5,9H2;1H
InChIKey
GZKKABCYIDGALV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.13
TPSA
36.87
LogP / Solubility
WLOGP
-1.98
MLOGP
-1.75
XLogP3
-1.98
Consensus LogP
-1.9
Log S (ESOL)
-0.07
Class (ESOL)
Very soluble
Log S (Ali)
0.28
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.48
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)
-5.31
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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