CAS RN: 864452-88-0

Lariciresinol p-coumarate

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Batchno.20250509 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS864452-88-0
  • Purity/Analytical Methods: >99.0%
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864452-88-0 / [(2R,3S,4S)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

Standard CAS: 864452-88-0 Multi CAS: No

Basic Information

CAS
864452-88-0
Multi CAS
No
Molecular Formula
C29H30O8
Molecular Weight
506.500000
Exact Mass
506.194068
InChI
InChI=1S/C29H30O8/c1-34-26-14-19(5-10-24(26)31)13-21-16-37-29(20-7-11-25(32)27(15-20)35-2)23(21)17-36-28(33)12-6-18-3-8-22(30)9-4-18/h3-12,14-15,21,23,29-32H,13,16-17H2,1-2H3/b12-6+/t21-,23-,29+/m1/s1
InChIKey
ZNVUQZAVBXKEGF-CVKHLOFQSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
3
Molar refractivity
136.79
TPSA
114.68

LogP / Solubility

WLOGP
4.62
MLOGP
4.11
XLogP3
4.7
Consensus LogP
4.48
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.87
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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