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CAS 76487-56-4 4-Methoxyphenyl 4-(3-Butenyloxy)benzoate molecular structure lightbox
CAS RN: 76487-56-4

4-Methoxyphenyl 4-(3-Butenyloxy)benzoate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250810 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-185894
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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 76487-56-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

76487-56-4 / (4-methoxyphenyl) 4-but-3-enoxybenzoate

Standard CAS: 76487-56-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76487-56-4
Multi CAS
Yes
Molecular Formula
C18H18O4
Molecular Weight
298.300000
Exact Mass
298.120509
InChI
InChI=1S/C18H18O4/c1-3-4-13-21-16-7-5-14(6-8-16)18(19)22-17-11-9-15(20-2)10-12-17/h3,5-12H,1,4,13H2,2H3
InChIKey
CXPLNUIZUUBDCU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
84.7
TPSA
44.76

LogP / Solubility

WLOGP
3.87
MLOGP
3.42
XLogP3
4.4
Consensus LogP
3.9
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79

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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