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CAS 1623786-67-3 Vibralactone L molecular structure lightbox
CAS RN: 1623786-67-3

Vibralactone L

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250518 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1623786-67-3
  • Purity/Analytical Methods: >99.0%
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1623786-67-3 / ethyl 5-methyl-2-[(5-oxo-2H-furan-3-yl)methyl]hex-4-enoate

Standard CAS: 1623786-67-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1623786-67-3
Multi CAS
No
Molecular Formula
C14H20O4
Molecular Weight
252.310000
Exact Mass
252.136159
SMILES
CCOC(=O)C(CC=C(C)C)CC1=CC(=O)OC1
InChI
InChI=1S/C14H20O4/c1-4-17-14(16)12(6-5-10(2)3)7-11-8-13(15)18-9-11/h5,8,12H,4,6-7,9H2,1-3H3
InChIKey
IUKVKDVSDJSIKQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
67.83
TPSA
52.6

LogP / Solubility

WLOGP
2.4
MLOGP
2.11
XLogP3
2.2
Consensus LogP
2.24
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly 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)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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