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CAS 303099-05-0 4-(5-ISOPROPYL-1H-BENZOIMIDAZOL-2-YL)-PHENYLAMINE molecular structure lightbox
CAS RN: 303099-05-0

4-(5-ISOPROPYL-1H-BENZOIMIDAZOL-2-YL)-PHENYLAMINE

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250426 100mg Out of stock Inquiry
Batchno.20250602 1g In stock Inquiry
Batchno.20260409 250mg Out of stock Inquiry
  • Product code: starshine_CAS303099-05-0
  • Purity/Analytical Methods: >99.0%
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303099-05-0 / 4-(6-propan-2-yl-1H-benzimidazol-2-yl)aniline

Standard CAS: 303099-05-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
303099-05-0
Multi CAS
No
Molecular Formula
C16H17N3
Molecular Weight
251.330000
Exact Mass
251.142248
InChI
InChI=1S/C16H17N3/c1-10(2)12-5-8-14-15(9-12)19-16(18-14)11-3-6-13(17)7-4-11/h3-10H,17H2,1-2H3,(H,18,19)
InChIKey
NJSJUUVCEGAWOL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
80.03
TPSA
54.7

LogP / Solubility

WLOGP
3.94
MLOGP
3.47
XLogP3
3.7
Consensus LogP
3.7
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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