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CAS 604-34-2 CHOLESTERYL ARACHIDONATE molecular structure lightbox
CAS RN: 604-34-2

CHOLESTERYL ARACHIDONATE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250706 10mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS604-34-2
  • Purity/Analytical Methods: >99.0%
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604-34-2 / [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] icosa-5,8,11,14-tetraenoate

Standard CAS: 604-34-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
604-34-2
Multi CAS
Yes
Molecular Formula
C47H76O2
Molecular Weight
673.100000
Exact Mass
672.584532
InChI
InChI=1S/C47H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,20-21,28,37-38,40-44H,7-10,13,16,19,22-27,29-36H2,1-6H3/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
InChIKey
IMXSFYNMSOULQS-JREUTYQLSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Fraction Csp3
0.77
Rotatable bonds
20
H-bond acceptors
2
Molar refractivity
211.33
TPSA
26.3

LogP / Solubility

WLOGP
14.09
MLOGP
12.45
XLogP3
15.6
Consensus LogP
14.05
Log S (ESOL)
-11.57
Class (ESOL)
Insoluble
Log S (Ali)
-15.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.13
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
Yes
Log Kp (skin permeation)
3.17

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

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