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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
14464-32-5 / (2,5-dioxopyrrolidin-1-yl) octadecanoate
Basic Information
CAS
14464-32-5
Multi CAS
No
Molecular Formula
C22H39NO4
Molecular Weight
381.500000
Exact Mass
381.287909
SMILES
CCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C22H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)27-23-20(24)18-19-21(23)25/h2-19H2,1H3
InChIKey
ZERWDZDNDJBYKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.86
Rotatable bonds
17
H-bond acceptors
4
Molar refractivity
106.73
TPSA
63.68
LogP / Solubility
WLOGP
5.86
MLOGP
5.17
XLogP3
7.6
Consensus LogP
6.21
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.04
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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(S)-(+)-2-TERT-BUTYLAMINO-1-PHENYLETHAN&
- CAS RN: 14467-32-4
- Product Code: starshine_CAS14467-32-4
- Purity/Analytical method: >99.0%
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