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CAS 854391-95-0 BIS(4-METHOXYBENZYL)AMINE HCL SALT molecular structure lightbox
CAS RN: 854391-95-0

BIS(4-METHOXYBENZYL)AMINE HCL SALT

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250923 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai 5-7 business days Inquiry
  • Product code: SSC-193823
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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: 10g
  • 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 854391-95-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

854391-95-0 / 1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;hydrochloride

Standard CAS: 854391-95-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
854391-95-0
Multi CAS
No
Molecular Formula
C16H20CLNO2
Molecular Weight
293.790000
Exact Mass
293.118257
InChI
InChI=1S/C16H19NO2.ClH/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14;/h3-10,17H,11-12H2,1-2H3;1H
InChIKey
BZIDDCTZNYMKMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.78
TPSA
30.49

LogP / Solubility

WLOGP
3.42
MLOGP
3.02
XLogP3
3.42
Consensus LogP
3.29
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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