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CAS 262862-71-5 4-P-TOLYLOXY-BENZYLAMINE molecular structure lightbox
CAS RN: 262862-71-5

4-P-TOLYLOXY-BENZYLAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250319 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-123636
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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 262862-71-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

262862-71-5 / [4-(4-chlorophenoxy)phenyl]methanamine;hydrochloride

Standard CAS: 262862-71-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
262862-71-5
Multi CAS
No
Molecular Formula
C13H13Cl2NO
Molecular Weight
270.150000
Exact Mass
269.037419
SMILES
C1=CC(=CC=C1CN)OC2=CC=C(C=C2)Cl.Cl
InChI
InChI=1S/C13H12ClNO.ClH/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12;/h1-8H,9,15H2;1H
InChIKey
BFQVELFTOFIOEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.11
TPSA
35.25

LogP / Solubility

WLOGP
4.01
MLOGP
3.54
XLogP3
4.01
Consensus LogP
3.85
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.52

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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