![CAS 160563-01-9 10,19-BIS[(OCTADECYLCARBAMOYL)METHOXY-ACETYL]-1,4,7,13,16-PENTAOXA-10,19-DIAZACYCLOHENEICOSANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/160563-01-9.gif)
CAS RN: 160563-01-9
10,19-BIS[(OCTADECYLCARBAMOYL)METHOXY-ACETYL]-1,4,7,13,16-PENTAOXA-10,19-DIAZACYCLOHENEICOSANE
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.20260127 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS160563-01-9
- Purity/Analytical Methods: >99.0%
160563-01-9 / N-octadecyl-2-[2-[19-[2-[2-(octadecylamino)-2-oxoethoxy]acetyl]-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicos-10-yl]-2-oxoethoxy]acetamide
Basic Information
CAS
160563-01-9
Multi CAS
No
Molecular Formula
C58H112N4O11
Molecular Weight
1041.500000
Exact Mass
1040.832760
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)COCC(=O)N1CCOCCOCCN(CCOCCOCCOCC1)C(=O)COCC(=O)NCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C58H112N4O11/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-59-55(63)51-72-53-57(65)61-37-41-67-45-46-68-42-38-62(40-44-70-48-50-71-49-47-69-43-39-61)58(66)54-73-52-56(64)60-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-54H2,1-2H3,(H,59,63)(H,60,64)
InChIKey
LKKJODPUVIMZGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
73
Fraction Csp3
0.93
Rotatable bonds
42
H-bond acceptors
11
H-bond donors
2
Molar refractivity
294
TPSA
163.43
LogP / Solubility
WLOGP
10.53
MLOGP
9.37
XLogP3
14.4
Consensus LogP
11.43
Log S (ESOL)
-10.16
Class (ESOL)
Insoluble
Log S (Ali)
-15.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.21
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.6
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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