CAS RN: 2387704-17-6
1-(1-(Methoxymethyl)cyclopentyl)methanamine hydrochloride
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.20260405 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2387704-17-6
- Purity/Analytical Methods: >99.0%
2387704-17-6 / 1-[1-(methoxymethyl)cyclopentyl]-N-methylmethanamine;hydrochloride
Basic Information
CAS
2387704-17-6
Multi CAS
No
Molecular Formula
C9H20ClNO
Molecular Weight
193.710000
Exact Mass
193.123342
SMILES
CNCC1(CCCC1)COC.Cl
InChI
InChI=1S/C9H19NO.ClH/c1-10-7-9(8-11-2)5-3-4-6-9;/h10H,3-8H2,1-2H3;1H
InChIKey
YNQRDYRRHMMGKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.95
TPSA
21.26
LogP / Solubility
WLOGP
1.83
MLOGP
1.61
XLogP3
1.83
Consensus LogP
1.76
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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