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CAS 926223-12-3 3′,4′-Dichloro-biphenyl-4-aMine molecular structure lightbox
CAS RN: 926223-12-3

3′,4′-Dichloro-biphenyl-4-aMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250502 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS926223-12-3
  • Purity/Analytical Methods: >99.0%
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926223-12-3 / 4-(3,4-dichlorophenyl)aniline

Standard CAS: 926223-12-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
926223-12-3
Multi CAS
No
Molecular Formula
C12H9CL2N
Molecular Weight
238.110000
Exact Mass
237.011205
InChI
InChI=1S/C12H9Cl2N/c13-11-6-3-9(7-12(11)14)8-1-4-10(15)5-2-8/h1-7H,15H2
InChIKey
RMTHXJMUEHILKB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.31
TPSA
26.02

LogP / Solubility

WLOGP
4.24
MLOGP
3.74
XLogP3
4.6
Consensus LogP
4.19
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.16

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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