![CAS 29605-78-5 1-[(AMMONIOOXY)METHYL]-3-CHLOROBENZENE CHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/29605-78-5.gif)
CAS RN: 29605-78-5
1-[(AMMONIOOXY)METHYL]-3-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.20251113 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-132619
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: ＞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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
29605-78-5 / O-[(3-chlorophenyl)methyl]hydroxylamine;hydrochloride
Basic Information
CAS
29605-78-5
Multi CAS
Yes
Molecular Formula
C7H9CL2NO
Molecular Weight
194.060000
Exact Mass
193.006119
InChI
InChI=1S/C7H8ClNO.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4H,5,9H2;1H
InChIKey
PZPCEIVCWGWHCC-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
2
H-bond donors
1
Molar refractivity
47.68
TPSA
35.25
LogP / Solubility
WLOGP
2.15
MLOGP
1.89
XLogP3
2.15
Consensus LogP
2.06
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
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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