![CAS 1197205-73-4 cis-5,8,11,14,17-Eicosapentaenoic acid-[19,19,20,20,20-D5] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1197205-73-4.gif)
CAS RN: 1197205-73-4
cis-5,8,11,14,17-Eicosapentaenoic acid-[19,19,20,20,20-D5]
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251118 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1197205-73-4
- Purity/Analytical Methods: >99.0%
1197205-73-4 / (5Z,8Z,11Z,14Z,17Z)-19,19,20,20,20-pentadeuterioicosa-5,8,11,14,17-pentaenoic acid
DTXSID70860077 | 5,8,11,14,17-EICOSAPENTAENOIC ACID | RefChem:1072270
Basic Information
CAS
1197205-73-4
Multi CAS
Yes
Molecular Formula
C20H30O2
Molecular Weight
307.500000
Exact Mass
307.255964
SMILES
[2H]C([2H])([2H])C([2H])([2H])/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-/i1D3,2D2
InChIKey
JAZBEHYOTPTENJ-YSTLBCQOSA-N
Synonyms
DTXSID70860077
5,8,11,14,17-EICOSAPENTAENOIC ACID
RefChem:1072270
DTXCID00809974
icosa-5,8,11,14,17-pentaenoic acid
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
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