CAS RN: 1263047-17-1
Amino-PEG4-t-Boc-Hydrazide
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.20250529 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1263047-17-1
- Purity/Analytical Methods: >99.0%
1263047-17-1 / tert-butyl N-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]carbamate
Basic Information
CAS
1263047-17-1
Multi CAS
No
Molecular Formula
C16H33N3O7
Molecular Weight
379.450000
Exact Mass
379.231850
SMILES
CC(C)(C)OC(=O)NNC(=O)CCOCCOCCOCCOCCN
InChI
InChI=1S/C16H33N3O7/c1-16(2,3)26-15(21)19-18-14(20)4-6-22-8-10-24-12-13-25-11-9-23-7-5-17/h4-13,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKey
SJCNXVBYQPAENC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.88
Rotatable bonds
14
H-bond acceptors
8
H-bond donors
3
Molar refractivity
94.46
TPSA
130.37
LogP / Solubility
WLOGP
-0.04
MLOGP
-0.02
XLogP3
-1.2
Consensus LogP
-0.42
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly 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)
-5.06
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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