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CAS RN: 1353970-82-7
Bis-(3-chloro-benzyl)-cyclopropyl-aMine
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.20250112 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353970-82-7
- Purity/Analytical Methods: >99.0%
1353970-82-7 / N,N-bis[(3-chlorophenyl)methyl]cyclopropanamine
Basic Information
CAS
1353970-82-7
Multi CAS
No
Molecular Formula
C17H17Cl2N
Molecular Weight
306.200000
Exact Mass
305.073805
SMILES
C1CC1N(CC2=CC(=CC=C2)Cl)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H17Cl2N/c18-15-5-1-3-13(9-15)11-20(17-7-8-17)12-14-4-2-6-16(19)10-14/h1-6,9-10,17H,7-8,11-12H2
InChIKey
QIGYOKZNGHOWQY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
85.17
TPSA
3.24
LogP / Solubility
WLOGP
5.16
MLOGP
4.55
XLogP3
5.1
Consensus LogP
4.94
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1353972-68-5 [1-(4-Fluoro-benzenesulfonyl)-piperidin-3-yl]-Methyl-aMine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52577398(1).gif)
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