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CAS 69260-42-0 4-(4-ACRYLOXY-BUTYL-1-OXY)-BENZOIC ACID molecular structure lightbox
CAS RN: 69260-42-0

4-(4-ACRYLOXY-BUTYL-1-OXY)-BENZOIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260516 1g / 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-178888
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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: 5g
  • Available purity: ＞97%
  • 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 69260-42-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

69260-42-0 / 4-(4-prop-2-enoyloxybutoxy)benzoic acid

Standard CAS: 69260-42-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69260-42-0
Multi CAS
No
Molecular Formula
C14H16O5
Molecular Weight
264.270000
Exact Mass
264.099774
InChI
InChI=1S/C14H16O5/c1-2-13(15)19-10-4-3-9-18-12-7-5-11(6-8-12)14(16)17/h2,5-8H,1,3-4,9-10H2,(H,16,17)
InChIKey
ZBWYHNHRVUSVNU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.29
TPSA
72.83

LogP / Solubility

WLOGP
2.27
MLOGP
2.01
XLogP3
3.5
Consensus LogP
2.59
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

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

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