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CAS 82376-73-6 N-(3,4-DIMETHOXYBENZYL)-4-METHOXYANILINE molecular structure lightbox
CAS RN: 82376-73-6

N-(3,4-DIMETHOXYBENZYL)-4-METHOXYANILINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251224 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS82376-73-6
  • Purity/Analytical Methods: >99.0%
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82376-73-6 / N-[(3,4-dimethoxyphenyl)methyl]-4-methoxyaniline

Standard CAS: 82376-73-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
82376-73-6
Multi CAS
No
Molecular Formula
C16H19NO3
Molecular Weight
273.330000
Exact Mass
273.136493
InChI
InChI=1S/C16H19NO3/c1-18-14-7-5-13(6-8-14)17-11-12-4-9-15(19-2)16(10-12)20-3/h4-10,17H,11H2,1-3H3
InChIKey
LCTVDNZJKCOONX-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
4
H-bond donors
1
Molar refractivity
79.87
TPSA
39.72

LogP / Solubility

WLOGP
3.32
MLOGP
2.93
XLogP3
2.9
Consensus LogP
3.05
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
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)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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