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CAS 6628-13-3 4-Chloro-2-phenoxyaniline molecular structure lightbox
CAS RN: 6628-13-3

4-Chloro-2-phenoxyaniline

  • Product code: SSC-175915
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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: 1g
  • 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 6628-13-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

6628-13-3 / 4-chloro-2-phenoxyaniline

Standard CAS: 6628-13-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6628-13-3
Multi CAS
Yes
Molecular Formula
C12H10CLNO
Molecular Weight
219.660000
Exact Mass
219.045092
InChI
InChI=1S/C12H10ClNO/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h1-8H,14H2
InChIKey
IGCFDKPYOYTIRB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.38
TPSA
35.25

LogP / Solubility

WLOGP
3.71
MLOGP
3.27
XLogP3
3.1
Consensus LogP
3.36
Log S (ESOL)
-4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
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)
-1.42

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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