CAS RN: 1354954-53-2
(2-(4-Fluorophenyl)cyclopropyl)methanamine hydrochloride
- Product code: SSC-043967
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 |
1354954-53-2 / [2-(4-fluorophenyl)cyclopropyl]methanamine;hydrochloride
Basic Information
CAS
1354954-53-2
Multi CAS
No
Molecular Formula
C10H13ClFN
Molecular Weight
201.670000
Exact Mass
201.072055
SMILES
C1C(C1C2=CC=C(C=C2)F)CN.Cl
InChI
InChI=1S/C10H12FN.ClH/c11-9-3-1-7(2-4-9)10-5-8(10)6-12;/h1-4,8,10H,5-6,12H2;1H
InChIKey
LPQAVKPTKBXDEY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.55
TPSA
26.02
LogP / Solubility
WLOGP
2.31
MLOGP
2.03
XLogP3
2.31
Consensus LogP
2.22
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
tert-butyl 3-hydroxy-2-methylazetidine-1-carboxylate
- CAS RN: 1354955-59-1
- Product Code: SSC-043970
-
tert-butyl N-[(2-hydroxycyclopentyl)methyl]carbamate, Mixture of diastereomers
- CAS RN: 1354957-79-1
- Product Code: SSC-043972
-
-
N5-Methylpyridine-2,5-diamine dihydrochloride
- CAS RN: 1354961-28-6
- Product Code: SSC-043977
-
4-(trifluoroMethyl)-tetrahydro-2H-Pyran-4-aMine hydrochloride
- CAS RN: 1354961-50-4
- Product Code: SSC-043979
-
![CAS 1354957-79-1 tert-butyl N-[(2-hydroxycyclopentyl)methyl]carbamate, Mixture of diastereomers molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1354957-79-1.gif)
