CAS RN: 15205-23-9
N-benzylcyclopentanamine
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.20251119 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS15205-23-9
- Purity/Analytical Methods: >99.0%
15205-23-9 / N-benzylcyclopentanamine
Basic Information
CAS
15205-23-9
Multi CAS
No
Molecular Formula
C12H17N
Molecular Weight
175.270000
Exact Mass
175.136100
SMILES
C1CCC(C1)NCC2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-2-6-11(7-3-1)10-13-12-8-4-5-9-12/h1-3,6-7,12-13H,4-5,8-10H2
InChIKey
PPVZYCGBQWWSKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.54
TPSA
12.03
LogP / Solubility
WLOGP
2.72
MLOGP
2.39
XLogP3
2.6
Consensus LogP
2.57
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.42
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)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
BIO-FARMA BF002412
- CAS RN: 15207-93-9
- Product Code: starshine_CAS15207-93-9
- Purity/Analytical method: >99.0%
-
Bis(2,26,6Tetramethylheptanedionato)palladium(II)
- CAS RN: 15214-66-1
- Product Code: SSC-061912
-
