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CAS 37075-25-5 4′-(Amyloxy)benzylidene-4-cyanoaniline molecular structure lightbox
CAS RN: 37075-25-5

4′-(Amyloxy)benzylidene-4-cyanoaniline

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260124 1g Out of stock 5-7 business days Inquiry
Batchno.20260312 200mg In stock Shanghai Inquiry
  • Product code: ICTB0253
  • Purity/Analytical Methods: >97.0%(HPLC)
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37075-25-5 / 4-[(4-pentoxyphenyl)methylideneamino]benzonitrile

Standard CAS: 37075-25-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
37075-25-5
Multi CAS
No
Molecular Formula
C19H20N2O
Molecular Weight
292.400000
Exact Mass
292.157563
InChI
InChI=1S/C19H20N2O/c1-2-3-4-13-22-19-11-7-17(8-12-19)15-21-18-9-5-16(14-20)6-10-18/h5-12,15H,2-4,13H2,1H3
InChIKey
IUWUDHSOMQRZCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
89.87
TPSA
45.38

LogP / Solubility

WLOGP
4.88
MLOGP
4.3
XLogP3
4.7
Consensus LogP
4.63
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.45
Class (SILICOS-IT)
Insoluble

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)
-1.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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