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CAS 6427-66-3 4-Azidobenzoic Acid molecular structure lightbox
CAS RN: 6427-66-3

4-Azidobenzoic Acid

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250811 1g In stock Shanghai Inquiry
Batchno.20260624 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260101 100g In stock Shandong Inquiry
Batchno.20260304 1g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20260226 25g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260208 5g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
  • Product code: ICTA0930
  • Purity/Analytical Methods: >97.0%(T)(HPLC)
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6427-66-3 / 4-azidobenzoic acid

Standard CAS: 6427-66-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6427-66-3
Multi CAS
No
Molecular Formula
C7H5N3O2
Molecular Weight
163.130000
Exact Mass
163.038176
InChI
InChI=1S/C7H5N3O2/c8-10-9-6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)
InChIKey
PQXPAFTXDVNANI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.21
TPSA
86.06

LogP / Solubility

WLOGP
2.33
MLOGP
2.04
XLogP3
2.5
Consensus LogP
2.29
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.06

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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