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: 0.1g, 0.25g, 1g, 5g
- 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.
1609407-52-4 / 2-propylpyrrolidine;hydrochloride
Basic Information
CAS
1609407-52-4
Multi CAS
No
Molecular Formula
C7H16ClN
Molecular Weight
149.660000
Exact Mass
149.097127
SMILES
CCCC1CCCN1.Cl
InChI
InChI=1S/C7H15N.ClH/c1-2-4-7-5-3-6-8-7;/h7-8H,2-6H2,1H3;1H
InChIKey
JIXMHDUHJCUGRR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.18
TPSA
12.03
LogP / Solubility
WLOGP
1.96
MLOGP
1.72
XLogP3
1.96
Consensus LogP
1.88
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-2.24
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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