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CAS 640-03-9 ANTHERAXANTHIN molecular structure lightbox
CAS RN: 640-03-9

ANTHERAXANTHIN

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250524 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS640-03-9
  • Purity/Analytical Methods: >99.0%
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640-03-9 / 6-[18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol

Standard CAS: 640-03-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
640-03-9
Multi CAS
Yes
Molecular Formula
C40H56O3
Molecular Weight
584.900000
Exact Mass
584.422946
InChI
InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3
InChIKey
OFNSUWBAQRCHAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Fraction Csp3
0.5
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
2
Molar refractivity
183.69
TPSA
52.99

LogP / Solubility

WLOGP
9.76
MLOGP
8.63
XLogP3
10.3
Consensus LogP
9.56
Log S (ESOL)
-8.95
Class (ESOL)
Insoluble
Log S (Ali)
-11.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.76
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)
0.64

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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