CAS RN: 1955474-71-1
ZJXOEOALNHXCOE-UYXJWNHNSA-N
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.20250902 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1955474-71-1
- Purity/Analytical Methods: >99.0%
1955474-71-1 / cis-(1R,2S)-2-fluorocyclopentan-1-amine;hydrochloride
Basic Information
CAS
1955474-71-1
Multi CAS
No
Molecular Formula
C5H11ClFN
Molecular Weight
139.600000
Exact Mass
139.056405
SMILES
C1C[C@H]([C@H](C1)F)N.Cl
InChI
InChI=1S/C5H10FN.ClH/c6-4-2-1-3-5(4)7;/h4-5H,1-3,7H2;1H/t4-,5+;/m0./s1
InChIKey
ZJXOEOALNHXCOE-UYXJWNHNSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.97
TPSA
26.02
LogP / Solubility
WLOGP
1.26
MLOGP
1.1
XLogP3
1.26
Consensus LogP
1.21
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
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)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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