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CAS 79114-77-5 Lariciresinol acetate molecular structure lightbox
CAS RN: 79114-77-5

Lariciresinol acetate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250320 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS79114-77-5
  • Purity/Analytical Methods: >99.0%
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79114-77-5 / [(2S,3R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl acetate

Standard CAS: 79114-77-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
79114-77-5
Multi CAS
Yes
Molecular Formula
C22H26O7
Molecular Weight
402.400000
Exact Mass
402.167853
InChI
InChI=1S/C22H26O7/c1-13(23)28-12-17-16(8-14-4-6-18(24)20(9-14)26-2)11-29-22(17)15-5-7-19(25)21(10-15)27-3/h4-7,9-10,16-17,22,24-25H,8,11-12H2,1-3H3/t16-,17-,22+/m0/s1
InChIKey
LVYMIYJFCKIBMR-PNLZDCPESA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
105.33
TPSA
94.45

LogP / Solubility

WLOGP
3.22
MLOGP
2.86
XLogP3
3
Consensus LogP
3.03
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

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

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