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CAS 21722-08-7 1-Phenyl-1H-iMidazol-2-aMine molecular structure lightbox
CAS RN: 21722-08-7

1-Phenyl-1H-iMidazol-2-aMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260528 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS21722-08-7
  • Purity/Analytical Methods: >99.0%
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21722-08-7 / 1-phenylimidazol-2-amine

Standard CAS: 21722-08-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21722-08-7
Multi CAS
No
Molecular Formula
C9H9N3
Molecular Weight
159.190000
Exact Mass
159.079647
SMILES
C1=CC=C(C=C1)N2C=CN=C2N
InChI
InChI=1S/C9H9N3/c10-9-11-6-7-12(9)8-4-2-1-3-5-8/h1-7H,(H2,10,11)
InChIKey
ACOLGRUIHSRLDA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.98
TPSA
43.84

LogP / Solubility

WLOGP
1.45
MLOGP
1.28
XLogP3
1.3
Consensus LogP
1.34
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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