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CAS RN: 1415800-34-8
Hydroxy-Amino-(PEG2-t-butyl ester)2
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260210 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1415800-34-8
- Purity/Analytical Methods: >99.0%
1415800-34-8 / tert-butyl 3-[2-[2-hydroxyethyl-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethyl]amino]ethoxy]propanoate
Basic Information
CAS
1415800-34-8
Multi CAS
No
Molecular Formula
C20H39NO7
Molecular Weight
405.500000
Exact Mass
405.272653
SMILES
CC(C)(C)OC(=O)CCOCCN(CCO)CCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C20H39NO7/c1-19(2,3)27-17(23)7-13-25-15-10-21(9-12-22)11-16-26-14-8-18(24)28-20(4,5)6/h22H,7-16H2,1-6H3
InChIKey
OUIZBEKRHPKXAD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.9
Rotatable bonds
14
H-bond acceptors
8
H-bond donors
1
Molar refractivity
106.09
TPSA
94.53
LogP / Solubility
WLOGP
1.78
MLOGP
1.59
XLogP3
0.9
Consensus LogP
1.42
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble
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)
-3.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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