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CAS 5730-85-8 2-Chloro-biphenyl-4-ylamine molecular structure lightbox
CAS RN: 5730-85-8

2-Chloro-biphenyl-4-ylamine

  • Product code: SSC-165415
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5730-85-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

5730-85-8 / 2-chloro-4-phenylaniline

Standard CAS: 5730-85-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5730-85-8
Multi CAS
Yes
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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