CAS RN: 128189-46-8
Heptadecanophenone
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-035511
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: 5g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
128189-46-8 / 1-phenylheptadecan-1-one
Basic Information
CAS
128189-46-8
Multi CAS
No
Molecular Formula
C23H38O
Molecular Weight
330.500000
Exact Mass
330.292266
SMILES
CCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(24)22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3
InChIKey
VUXIOSYYRVXOOT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
16
H-bond acceptors
1
Molar refractivity
105.7
TPSA
17.07
LogP / Solubility
WLOGP
7.74
MLOGP
6.83
XLogP3
9.5
Consensus LogP
8.02
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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