CAS RN: 525583-49-7
Boc-Gly-amido-(CH2)3-PEG3-(CH2)3-amine
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.20260403 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS525583-49-7
- Purity/Analytical Methods: >99.0%
525583-49-7 / tert-butyl N-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethyl]carbamate
Basic Information
CAS
525583-49-7
Multi CAS
No
Molecular Formula
C17H35N3O6
Molecular Weight
377.500000
Exact Mass
377.252586
InChI
InChI=1S/C17H35N3O6/c1-17(2,3)26-16(22)20-14-15(21)19-7-5-9-24-11-13-25-12-10-23-8-4-6-18/h4-14,18H2,1-3H3,(H,19,21)(H,20,22)
InChIKey
LRMUHZCCKYZFHS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.88
Rotatable bonds
15
H-bond acceptors
7
H-bond donors
3
Molar refractivity
97.99
TPSA
121.14
LogP / Solubility
WLOGP
0.42
MLOGP
0.39
XLogP3
-0.4
Consensus LogP
0.14
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.26
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.73
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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