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CAS 74048-71-8 Lancifolin C molecular structure lightbox
CAS RN: 74048-71-8

Lancifolin C

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2 package records0 with current stock2 grade groups
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Batchno.20251018 5mg Out of stock 30 business days Inquiry
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Batchno.20250701 5mg Out of stock Inquiry
  • Product code: starshine_CAS74048-71-8
  • Purity/Analytical Methods: >99.0%
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74048-71-8 / (4S)-4-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one

Standard CAS: 74048-71-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74048-71-8
Multi CAS
Yes
Molecular Formula
C22H28O5
Molecular Weight
372.500000
Exact Mass
372.193674
InChI
InChI=1S/C22H28O5/c1-7-8-17-14-22(27-6,21(26-5)13-18(17)23)15(2)11-16-9-10-19(24-3)20(12-16)25-4/h7,9-10,12-15H,1,8,11H2,2-6H3/t15-,22-/m1/s1
InChIKey
MVOMQPWLJRZYDT-IVZQSRNASA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.41
Rotatable bonds
9
H-bond acceptors
5
Molar refractivity
105.15
TPSA
53.99

LogP / Solubility

WLOGP
3.88
MLOGP
3.44
XLogP3
3.8
Consensus LogP
3.71
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.38
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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