CAS RN: 1933-15-9
N-Ethyl-1-(4-Methoxyphenyl)cyclohexanaMine 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.20260628 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1933-15-9
- Purity/Analytical Methods: >99.0%
1933-15-9 / N-ethyl-1-(4-methoxyphenyl)cyclohexan-1-amine;hydrochloride
Basic Information
CAS
1933-15-9
Multi CAS
No
Molecular Formula
C15H24ClNO
Molecular Weight
269.810000
Exact Mass
269.154642
SMILES
CCNC1(CCCCC1)C2=CC=C(C=C2)OC.Cl
InChI
InChI=1S/C15H23NO.ClH/c1-3-16-15(11-5-4-6-12-15)13-7-9-14(17-2)10-8-13;/h7-10,16H,3-6,11-12H2,1-2H3;1H
InChIKey
KUAQMARZSKCSBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.68
TPSA
21.26
LogP / Solubility
WLOGP
3.89
MLOGP
3.43
XLogP3
3.89
Consensus LogP
3.74
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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