CAS RN: 2170240-96-5
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Product Availability
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6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250810 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2170240-96-5
- Purity/Analytical Methods: >99.0%
2170240-96-5 / 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanehydrazide
Basic Information
CAS
2170240-96-5
Multi CAS
No
Molecular Formula
C11H23N5O5
Molecular Weight
305.330000
Exact Mass
305.169919
SMILES
C(COCCOCCOCCOCCN=[N+]=[N-])C(=O)NN
InChI
InChI=1S/C11H23N5O5/c12-15-11(17)1-3-18-5-7-20-9-10-21-8-6-19-4-2-14-16-13/h1-10,12H2,(H,15,17)
InChIKey
BUAWGAVOHIVJRC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.91
Rotatable bonds
15
H-bond acceptors
7
H-bond donors
2
Molar refractivity
74.24
TPSA
140.8
LogP / Solubility
WLOGP
-0.26
MLOGP
-0.21
XLogP3
-1
Consensus LogP
-0.49
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
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)
-4.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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