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CAS 28022-43-7 (4-CHLOROPHENYL)PHENYLMETHYLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 28022-43-7

(4-CHLOROPHENYL)PHENYLMETHYLAMINE HYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260531 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-128598
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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: ＞97%
  • 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 28022-43-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

28022-43-7 / N-benzyl-4-chloroaniline

Standard CAS: 28022-43-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28022-43-7
Multi CAS
No
Molecular Formula
C13H12ClN
Molecular Weight
217.690000
Exact Mass
217.065827
SMILES
C1=CC=C(C=C1)CNC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H12ClN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKey
MMEIYVXPSXIGET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.22
TPSA
12.03

LogP / Solubility

WLOGP
3.95
MLOGP
3.48
XLogP3
3.8
Consensus LogP
3.74
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
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)
-1.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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