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CAS 469-36-3 ORYZANOL molecular structure lightbox
CAS RN: 469-36-3

ORYZANOL

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Batchno.20250205 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS469-36-3
  • Purity/Analytical Methods: >99.0%
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469-36-3 / [(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Standard CAS: 469-36-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
469-36-3
Multi CAS
Yes
Molecular Formula
C41H60O4
Molecular Weight
616.900000
Exact Mass
616.449160
InChI
InChI=1S/C41H60O4/c1-26(2)27(3)10-11-28(4)30-18-20-39(8)34-16-15-33-37(5,6)35(19-21-40(33)25-41(34,40)23-22-38(30,39)7)45-36(43)17-13-29-12-14-31(42)32(24-29)44-9/h12-14,17,24,26,28,30,33-35,42H,3,10-11,15-16,18-23,25H2,1-2,4-9H3/b17-13+/t28-,30-,33+,34+,35+,38-,39+,40-,41+/m1/s1
InChIKey
JBSUVXVGZSMGDJ-YVMHCORFSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
182.83
TPSA
55.76

LogP / Solubility

WLOGP
10.39
MLOGP
9.2
XLogP3
12.6
Consensus LogP
10.73
Log S (ESOL)
-9.72
Class (ESOL)
Insoluble
Log S (Ali)
-12.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.38
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)
0.9

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
10

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