![CAS 2007916-16-5 [(1S)-3,3-difluorocyclopentyl]methanamine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2007916-16-5.png)
CAS RN: 2007916-16-5
[(1S)-3,3-difluorocyclopentyl]methanamine hydrochloride
- Product code: SSC-094679
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2007916-16-5 / [(1S)-3,3-difluorocyclopentyl]methanamine;hydrochloride
Basic Information
CAS
2007916-16-5
Multi CAS
No
Molecular Formula
C6H12ClF2N
Molecular Weight
171.610000
Exact Mass
171.062633
SMILES
C1CC(C[C@H]1CN)(F)F.Cl
InChI
InChI=1S/C6H11F2N.ClH/c7-6(8)2-1-5(3-6)4-9;/h5H,1-4,9H2;1H/t5-;/m0./s1
InChIKey
HWMZUTJOBXFEKK-JEDNCBNOSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.59
TPSA
26.02
LogP / Solubility
WLOGP
1.8
MLOGP
1.58
XLogP3
1.8
Consensus LogP
1.73
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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