CAS RN: 2055013-49-3
Ald-Ph-PEG6-t-butyl ester
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.20250322 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2055013-49-3
- Purity/Analytical Methods: >99.0%
2055013-49-3 / tert-butyl 3-[2-[2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
2055013-49-3
Multi CAS
No
Molecular Formula
C27H43NO10
Molecular Weight
541.600000
Exact Mass
541.288697
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C27H43NO10/c1-27(2,3)38-25(30)8-10-32-12-14-34-16-18-36-20-21-37-19-17-35-15-13-33-11-9-28-26(31)24-6-4-23(22-29)5-7-24/h4-7,22H,8-21H2,1-3H3,(H,28,31)
InChIKey
DODVDQNRIUQKOP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
23
H-bond acceptors
10
H-bond donors
1
Molar refractivity
139.54
TPSA
127.85
LogP / Solubility
WLOGP
2.06
MLOGP
1.85
XLogP3
0.6
Consensus LogP
1.5
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.65
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.56
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
4
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- CAS RN: 2055013-56-2
- Product Code: starshine_CAS2055013-56-2
- Purity/Analytical method: >99.0%
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