CAS RN: 2378590-46-4
Fmoc-N-amido-PEG15-acid
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.20260523 | 250mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2378590-46-4
- Purity/Analytical Methods: >99.0%
2378590-46-4 / 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
2378590-46-4
Multi CAS
No
Molecular Formula
C48H77NO19
Molecular Weight
972.100000
Exact Mass
971.508979
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C48H77NO19/c50-47(51)9-11-53-13-15-55-17-19-57-21-23-59-25-27-61-29-31-63-33-35-65-37-39-67-40-38-66-36-34-64-32-30-62-28-26-60-24-22-58-20-18-56-16-14-54-12-10-49-48(52)68-41-46-44-7-3-1-5-42(44)43-6-2-4-8-45(43)46/h1-8,46H,9-41H2,(H,49,52)(H,50,51)
InChIKey
QQVRPRDTWMHMMF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
68
Aromatic heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
50
H-bond acceptors
18
H-bond donors
2
Molar refractivity
247.61
TPSA
214.08
LogP / Solubility
WLOGP
3.25
MLOGP
2.95
XLogP3
0.3
Consensus LogP
2.17
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-9.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.68
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-6.34
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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