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CAS 217180-76-2 8-Azido-octanoic acid molecular structure lightbox
CAS RN: 217180-76-2

8-Azido-octanoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260617 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Hebei 5-7 business days Inquiry
  • Product code: starshine_CAS217180-76-2
  • Purity/Analytical Methods: >99.0%
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217180-76-2 / 8-azidooctanoic acid

Standard CAS: 217180-76-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
217180-76-2
Multi CAS
No
Molecular Formula
C8H15N3O2
Molecular Weight
185.220000
Exact Mass
185.116427
SMILES
C(CCCC(=O)O)CCCN=[N+]=[N-]
InChI
InChI=1S/C8H15N3O2/c9-11-10-7-5-3-1-2-4-6-8(12)13/h1-7H2,(H,12,13)
InChIKey
NIIORXIMUYSXDQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.35
TPSA
86.06

LogP / Solubility

WLOGP
2.72
MLOGP
2.39
XLogP3
2.8
Consensus LogP
2.64
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly 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)
-1.92

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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