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CAS 16833-17-3 Butyl 4-[(4-Methoxybenzylidene)amino]cinnamate molecular structure lightbox
CAS RN: 16833-17-3

Butyl 4-[(4-Methoxybenzylidene)amino]cinnamate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250423 200mg In stock Shanghai Inquiry
  • Product code: SSC-073378
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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: 1g
  • Available purity: ≥98%
  • 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 16833-17-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

16833-17-3 / butyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate

Standard CAS: 16833-17-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16833-17-3
Multi CAS
No
Molecular Formula
C21H23NO3
Molecular Weight
337.400000
Exact Mass
337.167794
SMILES
CCCCOC(=O)/C=C/C1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC
InChI
InChI=1S/C21H23NO3/c1-3-4-15-25-21(23)14-9-17-5-10-19(11-6-17)22-16-18-7-12-20(24-2)13-8-18/h5-14,16H,3-4,15H2,1-2H3/b14-9+,22-16?
InChIKey
CULYZFOOJBHBNM-CIZPVDQASA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
101.59
TPSA
47.89

LogP / Solubility

WLOGP
4.8
MLOGP
4.24
XLogP3
4.7
Consensus LogP
4.58
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.8
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.37

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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