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CAS 90811-55-5 BENZYL-(3-METHOXY-PHENYL)-AMINE molecular structure lightbox
CAS RN: 90811-55-5

BENZYL-(3-METHOXY-PHENYL)-AMINE

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260307 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251024 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-203455
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 0.25g, 0.1g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 90811-55-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
5g ≥97% 5 In Stock Beijing Inquiry
10g ≥97% 5 In Stock Beijing Inquiry
0.25g ≥97% 4 In Stock Hong Kong Inquiry
0.1g ≥97% 0 Out of Stock Shenzhen Inquiry

90811-55-5 / N-benzyl-3-methoxyaniline

Standard CAS: 90811-55-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90811-55-5
Multi CAS
No
Molecular Formula
C14H15NO
Molecular Weight
213.270000
Exact Mass
213.115364
InChI
InChI=1S/C14H15NO/c1-16-14-9-5-8-13(10-14)15-11-12-6-3-2-4-7-12/h2-10,15H,11H2,1H3
InChIKey
IWXYQQZZRQBFKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.76
TPSA
21.26

LogP / Solubility

WLOGP
3.31
MLOGP
2.91
XLogP3
3.1
Consensus LogP
3.11
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
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)
-1.67

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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