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CAS 10417-94-4 all cis-5,8,11,14,17-Eicosapentaenoic Acid molecular structure lightbox
CAS RN: 10417-94-4

all cis-5,8,11,14,17-Eicosapentaenoic Acid

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18 package records15 with current stock7 grade groups
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Batchno.20260123 50mg / 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei, Chongqing Inquiry
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Batchno.20250801 1ml In stock Inquiry
  • Product code: SSC-005937
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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 10417-94-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

10417-94-4 / (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid

DTXSID70860077 | 5,8,11,14,17-EICOSAPENTAENOIC ACID | RefChem:1072270

Standard CAS: 10417-94-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
10417-94-4
Multi CAS
Yes
Molecular Formula
C20H30O2
Molecular Weight
302.500000
Exact Mass
302.224580
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKey
JAZBEHYOTPTENJ-JLNKQSITSA-N
Synonyms
DTXSID70860077 5,8,11,14,17-EICOSAPENTAENOIC ACID RefChem:1072270 DTXCID00809974 icosa-5,8,11,14,17-pentaenoic acid

Physical Properties

Physical Description
Colorless liquid; [Merck Index] Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.45
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
95.95
TPSA
37.3

LogP / Solubility

WLOGP
5.99
MLOGP
5.29
XLogP3
5.6
Consensus LogP
5.63
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.31

Drug-likeness / Medicinal Chemistry

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

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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