CAS RN: 176956-02-8
4-OCTYLBENZYLAMINE
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.20260221 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS176956-02-8
- Purity/Analytical Methods: >99.0%
176956-02-8 / (4-octylphenyl)methanamine
Basic Information
CAS
176956-02-8
Multi CAS
No
Molecular Formula
C15H25N
Molecular Weight
219.370000
Exact Mass
219.198700
SMILES
CCCCCCCCC1=CC=C(C=C1)CN
InChI
InChI=1S/C15H25N/c1-2-3-4-5-6-7-8-14-9-11-15(13-16)12-10-14/h9-12H,2-8,13,16H2,1H3
InChIKey
DHTAZFYWZBSXHJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
71.41
TPSA
26.02
LogP / Solubility
WLOGP
4.05
MLOGP
3.56
XLogP3
4.8
Consensus LogP
4.14
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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