CAS RN: 94292-80-5

6(S)-Lipoxin A4

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Batchno.20251106 50μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS94292-80-5
  • Purity/Analytical Methods: >99.0%
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94292-80-5 / (5S,6S,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid

Standard CAS: 94292-80-5 Multi CAS: Yes

Basic Information

CAS
94292-80-5
Multi CAS
Yes
Molecular Formula
C20H32O5
Molecular Weight
352.500000
Exact Mass
352.224974
InChI
InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18-,19-/m0/s1
InChIKey
IXAQOQZEOGMIQS-UZDWIPAXSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.55
Rotatable bonds
14
H-bond acceptors
4
H-bond donors
4
Molar refractivity
100.21
TPSA
97.99

LogP / Solubility

WLOGP
3.13
MLOGP
2.77
XLogP3
3.1
Consensus LogP
3
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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