![CAS 877265-30-0 N-[(2E)-6,6-DiMethyl-2-hepten-4-yn-1-yl]-N-Methyl-2-naphthaleneMethanaMine Hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/877265-30-0.gif)
CAS RN: 877265-30-0
N-[(2E)-6,6-DiMethyl-2-hepten-4-yn-1-yl]-N-Methyl-2-naphthaleneMethanaMine 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.20250201 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS877265-30-0
- Purity/Analytical Methods: >99.0%
877265-30-0 / (E)-N,6,6-trimethyl-N-(naphthalen-2-ylmethyl)hept-2-en-4-yn-1-amine;hydrochloride
Basic Information
CAS
877265-30-0
Multi CAS
Yes
Molecular Formula
C21H26CLN
Molecular Weight
327.900000
Exact Mass
327.175378
InChI
InChI=1S/C21H25N.ClH/c1-21(2,3)14-8-5-9-15-22(4)17-18-12-13-19-10-6-7-11-20(19)16-18;/h5-7,9-13,16H,15,17H2,1-4H3;1H/b9-5+;
InChIKey
DOUQARFOFOKGST-SZKNIZGXSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
103.9
TPSA
3.24
LogP / Solubility
WLOGP
5.3
MLOGP
4.68
XLogP3
5.3
Consensus LogP
5.09
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.67
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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