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CAS 79583-98-5 5-Azidovaleric Acid molecular structure lightbox
CAS RN: 79583-98-5

5-Azidovaleric Acid

Product Availability

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251212 250mg In stock Inquiry
Batchno.20260103 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250412 50mg / 200mg / 1g / 5g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: ICTA2729
  • Purity/Analytical Methods: >98.0%(GC)(T)
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79583-98-5 / 5-azidopentanoic acid

Standard CAS: 79583-98-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79583-98-5
Multi CAS
No
Molecular Formula
C5H9N3O2
Molecular Weight
143.140000
Exact Mass
143.069477
InChI
InChI=1S/C5H9N3O2/c6-8-7-4-2-1-3-5(9)10/h1-4H2,(H,9,10)
InChIKey
SBZDIRMBQJDCLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.5
TPSA
86.06

LogP / Solubility

WLOGP
1.55
MLOGP
1.36
XLogP3
1.3
Consensus LogP
1.4
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately 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)
-2.49

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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