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CAS 22881-33-0 (4-CHLORO-BENZYL)-PYRIDIN-2-YL-AMINE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 22881-33-0

(4-CHLORO-BENZYL)-PYRIDIN-2-YL-AMINE DIHYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250810 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-111373
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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 22881-33-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

22881-33-0 / N-[(4-chlorophenyl)methyl]pyridin-2-amine

Standard CAS: 22881-33-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22881-33-0
Multi CAS
No
Molecular Formula
C12H11ClN2
Molecular Weight
218.680000
Exact Mass
218.061076
SMILES
C1=CC=NC(=C1)NCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H11ClN2/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h1-8H,9H2,(H,14,15)
InChIKey
QCRNCCIQUTVWLT-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
2
H-bond donors
1
Molar refractivity
63.02
TPSA
24.92

LogP / Solubility

WLOGP
3.35
MLOGP
2.95
XLogP3
3.3
Consensus LogP
3.2
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
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)
-1.68

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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