CAS RN: 91159-79-4
4-AZIDOANILINE HYDROCHLORIDE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS91159-79-4
- Purity/Analytical Methods: >99.0%
91159-79-4 / 4-azidoaniline;hydrochloride
Basic Information
CAS
91159-79-4
Multi CAS
No
Molecular Formula
C6H7CLN4
Molecular Weight
170.600000
Exact Mass
170.035924
InChI
InChI=1S/C6H6N4.ClH/c7-5-1-3-6(4-2-5)9-10-8;/h1-4H,7H2;1H
InChIKey
SDYAJRBHPPWHSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.91
TPSA
74.78
LogP / Solubility
WLOGP
2.63
MLOGP
2.31
XLogP3
2.63
Consensus LogP
2.52
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89
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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