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CAS 303099-03-8 4-(5,7-Dichloro-1H-benzoimidazol-2-yl)-phenylamine molecular structure lightbox
CAS RN: 303099-03-8

4-(5,7-Dichloro-1H-benzoimidazol-2-yl)-phenylamine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250424 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS303099-03-8
  • Purity/Analytical Methods: >99.0%
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303099-03-8 / 4-(4,6-dichloro-1H-benzimidazol-2-yl)aniline

Standard CAS: 303099-03-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
303099-03-8
Multi CAS
No
Molecular Formula
C13H9CL2N3
Molecular Weight
278.130000
Exact Mass
277.017353
InChI
InChI=1S/C13H9Cl2N3/c14-8-5-10(15)12-11(6-8)17-13(18-12)7-1-3-9(16)4-2-7/h1-6H,16H2,(H,17,18)
InChIKey
MDMZZYHAHPZWFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
75.96
TPSA
54.7

LogP / Solubility

WLOGP
4.12
MLOGP
3.63
XLogP3
3.7
Consensus LogP
3.82
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
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)
-1.49

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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