CAS RN: 1835759-88-0
Azido-PEG1-methylamine
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250422 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1835759-88-0
- Purity/Analytical Methods: >99.0%
1835759-88-0 / 2-(2-azidoethoxy)-N-methylethanamine
Basic Information
CAS
1835759-88-0
Multi CAS
No
Molecular Formula
C5H12N4O
Molecular Weight
144.180000
Exact Mass
144.101111
SMILES
CNCCOCCN=[N+]=[N-]
InChI
InChI=1S/C5H12N4O/c1-7-2-4-10-5-3-8-9-6/h7H,2-5H2,1H3
InChIKey
DRMPMTBZYHVFIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.76
TPSA
70.02
LogP / Solubility
WLOGP
0.53
MLOGP
0.46
XLogP3
0.6
Consensus LogP
0.53
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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