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CAS 51128-24-6 4-Butoxyphenyl 4-Pentylbenzoate molecular structure lightbox
CAS RN: 51128-24-6

4-Butoxyphenyl 4-Pentylbenzoate

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260520 1g In stock Inquiry
Batchno.20260426 250mg In stock Inquiry
Batchno.20250410 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260401 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-157945
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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: ≥99%
  • 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 51128-24-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥99% 0 Out of Stock Shenzhen Inquiry

51128-24-6 / (4-butoxyphenyl) 4-pentylbenzoate

Standard CAS: 51128-24-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51128-24-6
Multi CAS
No
Molecular Formula
C22H28O3
Molecular Weight
340.500000
Exact Mass
340.203845
InChI
InChI=1S/C22H28O3/c1-3-5-7-8-18-9-11-19(12-10-18)22(23)25-21-15-13-20(14-16-21)24-17-6-4-2/h9-16H,3-8,17H2,1-2H3
InChIKey
LEJYVZMFIRFBCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
10
H-bond acceptors
3
Molar refractivity
101.47
TPSA
35.53

LogP / Solubility

WLOGP
5.82
MLOGP
5.14
XLogP3
7
Consensus LogP
5.99
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.9
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.67

Drug-likeness / Medicinal Chemistry

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

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