CAS RN: 1337889-01-6
Benzamide, N-(35-amino-3,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacont-1-yl)-4-formyl-
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.20250702 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1337889-01-6
- Purity/Analytical Methods: >99.0%
1337889-01-6 / N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-formylbenzamide
Basic Information
CAS
1337889-01-6
Multi CAS
No
Molecular Formula
C32H56N2O13
Molecular Weight
676.800000
Exact Mass
676.378240
SMILES
C1=CC(=CC=C1C=O)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C32H56N2O13/c33-5-7-37-9-11-39-13-15-41-17-19-43-21-23-45-25-27-47-28-26-46-24-22-44-20-18-42-16-14-40-12-10-38-8-6-34-32(36)31-3-1-30(29-35)2-4-31/h1-4,29H,5-28,33H2,(H,34,36)
InChIKey
CAXZOLSIKSTMBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
37
H-bond acceptors
14
H-bond donors
2
Molar refractivity
172.23
TPSA
173.72
LogP / Solubility
WLOGP
0.37
MLOGP
0.38
XLogP3
-1.9
Consensus LogP
-0.38
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.81
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.59
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
4
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