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CAS 2687-41-4 Acetamide,N-[4-(4-aminophenoxy)phenyl]- molecular structure lightbox
CAS RN: 2687-41-4

Acetamide,N-[4-(4-aminophenoxy)phenyl]-

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250710 100mg Out of stock 8-10 business days Inquiry
Batchno.20251205 100mg In stock Shanghai Inquiry
Batchno.20250414 1g Out of stock Inquiry
Batchno.20251117 250mg Out of stock Inquiry
  • Product code: starshine_CAS2687-41-4
  • Purity/Analytical Methods: >99.0%
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2687-41-4 / N-[4-(4-aminophenoxy)phenyl]acetamide

Standard CAS: 2687-41-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2687-41-4
Multi CAS
No
Molecular Formula
C14H14N2O2
Molecular Weight
242.270000
Exact Mass
242.105528
SMILES
CC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)N
InChI
InChI=1S/C14H14N2O2/c1-10(17)16-12-4-8-14(9-5-12)18-13-6-2-11(15)3-7-13/h2-9H,15H2,1H3,(H,16,17)
InChIKey
VOACWDOXELDOSJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.67
TPSA
64.35

LogP / Solubility

WLOGP
3.02
MLOGP
2.66
XLogP3
2.4
Consensus LogP
2.69
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
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)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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