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CAS 1119-60-4 6-Heptenoic acid molecular structure lightbox
CAS RN: 1119-60-4

6-Heptenoic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250315 1g In stock Shanghai, Hebei Inquiry
Batchno.20260422 25g In stock Hebei Inquiry
Batchno.20251207 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-012376
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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, 10g, 25g, 100g
  • 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 1119-60-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

1119-60-4 / hept-6-enoic acid

6-Heptenoic acid | Hept-6-enoic acid | epsilon-heptenoic acid

Standard CAS: 1119-60-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1119-60-4
Multi CAS
Yes
Molecular Formula
C7H12O2
Molecular Weight
128.170000
Exact Mass
128.083730
SMILES
C=CCCCCC(=O)O
InChI
InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2,(H,8,9)
InChIKey
RWNJOXUVHRXHSD-UHFFFAOYSA-N
Synonyms
6-Heptenoic acid Hept-6-enoic acid epsilon-heptenoic acid TZY1TN97UH C7:1n-1

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.3
TPSA
37.3

LogP / Solubility

WLOGP
1.82
MLOGP
1.59
XLogP3
1.7
Consensus LogP
1.7
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately 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)
-2.21

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
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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