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CAS 15872-42-1 4-(Heptyloxy)benzoic Acid molecular structure lightbox
CAS RN: 15872-42-1

4-(Heptyloxy)benzoic Acid

Product Availability

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8 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251104 100g In stock Inquiry
Batchno.20260415 25g In stock Inquiry
Batchno.20260429 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250303 100g Out of stock Inquiry
Batchno.20250616 10g Out of stock Inquiry
Batchno.20260622 25g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250421 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260327 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-066957
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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: 25g
  • Available purity: ≥95%
  • 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 15872-42-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

15872-42-1 / 4-heptoxybenzoic acid

Standard CAS: 15872-42-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15872-42-1
Multi CAS
No
Molecular Formula
C14H20O3
Molecular Weight
236.310000
Exact Mass
236.141245
SMILES
CCCCCCCOC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3,(H,15,16)
InChIKey
ZRVIYEJYXIDATJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.66
TPSA
46.53

LogP / Solubility

WLOGP
3.73
MLOGP
3.29
XLogP3
4.4
Consensus LogP
3.81
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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