CAS RN: 1158263-30-9
(4-Chloro-benzyl)-cyclopropyl-aMine hydrochloride
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.20260531 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-015554
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 | Shenzhen | Inquiry |
1158263-30-9 / N-[(4-chlorophenyl)methyl]cyclopropanamine;hydrochloride
N-(4-Chlorobenzyl)cyclopropanamine hydrochloride | MFCD07110804 | (4-Chloro-benzyl)-cyclopropyl-amine hydrochloride
Basic Information
CAS
1158263-30-9
Multi CAS
No
Molecular Formula
C10H13Cl2N
Molecular Weight
218.120000
Exact Mass
217.042505
SMILES
C1CC1NCC2=CC=C(C=C2)Cl.Cl
InChI
InChI=1S/C10H12ClN.ClH/c11-9-3-1-8(2-4-9)7-12-10-5-6-10;/h1-4,10,12H,5-7H2;1H
InChIKey
QTHQCXWGMLXJIO-UHFFFAOYSA-N
Synonyms
N-(4-Chlorobenzyl)cyclopropanamine hydrochloride
MFCD07110804
(4-Chloro-benzyl)-cyclopropyl-amine hydrochloride
Benzenemethanamine, 4-chloro-N-cyclopropyl-, hydrochloride (1:1)
N-[(4-chlorophenyl)methyl]cyclopropanamine;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.56
TPSA
12.03
LogP / Solubility
WLOGP
3.01
MLOGP
2.65
XLogP3
3.01
Consensus LogP
2.89
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly 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)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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