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CAS 19956-54-8 Methyllucidone molecular structure lightbox
CAS RN: 19956-54-8

Methyllucidone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250926 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS19956-54-8
  • Purity/Analytical Methods: >99.0%
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19956-54-8 / (2Z)-4-methoxy-2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione

Standard CAS: 19956-54-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19956-54-8
Multi CAS
No
Molecular Formula
C16H14O4
Molecular Weight
270.280000
Exact Mass
270.089209
SMILES
COC1=CC(=O)/C(=C(\C=C\C2=CC=CC=C2)/OC)/C1=O
InChI
InChI=1S/C16H14O4/c1-19-13(9-8-11-6-4-3-5-7-11)15-12(17)10-14(20-2)16(15)18/h3-10H,1-2H3/b9-8+,15-13-
InChIKey
FITVJPYUOAZKPN-PBMBQWDMSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
74.62
TPSA
52.6

LogP / Solubility

WLOGP
2.28
MLOGP
2.02
XLogP3
2.7
Consensus LogP
2.33
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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