CAS RN: 135920-28-4
7-azidoheptanoic acid
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260210 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS135920-28-4
- Purity/Analytical Methods: >99.0%
135920-28-4 / 7-azidoheptanoic acid
Basic Information
CAS
135920-28-4
Multi CAS
No
Molecular Formula
C7H13N3O2
Molecular Weight
171.200000
Exact Mass
171.100777
SMILES
C(CCCN=[N+]=[N-])CCC(=O)O
InChI
InChI=1S/C7H13N3O2/c8-10-9-6-4-2-1-3-5-7(11)12/h1-6H2,(H,11,12)
InChIKey
BUFLEAPQHWPYTO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.73
TPSA
86.06
LogP / Solubility
WLOGP
2.33
MLOGP
2.05
XLogP3
2.2
Consensus LogP
2.19
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.55
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)
-2.11
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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