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CAS 7285-66-7 3-chlorobiphenyl-4-amine molecular structure lightbox
CAS RN: 7285-66-7

3-chlorobiphenyl-4-amine

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250923 100mg In stock Shanghai Inquiry
Batchno.20250318 1g Out of stock Inquiry
Batchno.20250202 250mg Out of stock Inquiry
  • Product code: starshine_CAS7285-66-7
  • Purity/Analytical Methods: >99.0%
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7285-66-7 / 2-chloro-4-phenylaniline

Standard CAS: 7285-66-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7285-66-7
Multi CAS
No
Molecular Formula
C12H10CLN
Molecular Weight
203.670000
Exact Mass
203.050177
InChI
InChI=1S/C12H10ClN/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8H,14H2
InChIKey
YYLYBPJQUOYBQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.3
TPSA
26.02

LogP / Solubility

WLOGP
3.59
MLOGP
3.16
XLogP3
4
Consensus LogP
3.58
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41

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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