![CAS 851116-10-4 2-CHLORO-N-[1-(5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHYL]ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2140782.gif)
CAS RN: 851116-10-4
2-CHLORO-N-[1-(5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHYL]ACETAMIDE
- Product code: SSC-193187
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
851116-10-4 / 2-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
Basic Information
CAS
851116-10-4
Multi CAS
No
Molecular Formula
C14H18CLNO
Molecular Weight
251.750000
Exact Mass
251.107692
InChI
InChI=1S/C14H18ClNO/c1-10(16-14(17)9-15)12-7-6-11-4-2-3-5-13(11)8-12/h6-8,10H,2-5,9H2,1H3,(H,16,17)
InChIKey
SAVUWIQTERSJFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
70.36
TPSA
29.1
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
3.4
Consensus LogP
3
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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