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CAS 1872403-23-0 Kimcuongin molecular structure lightbox
CAS RN: 1872403-23-0

Kimcuongin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250101 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1872403-23-0
  • Purity/Analytical Methods: >99.0%
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1872403-23-0 / [1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-1-oxobut-2-en-2-yl] 3-methylbut-2-enoate

Standard CAS: 1872403-23-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1872403-23-0
Multi CAS
No
Molecular Formula
C20H20O6
Molecular Weight
356.400000
Exact Mass
356.125988
SMILES
CC(=CC(=O)OC(=C(C)C)C(=O)C1=C(C=CC2=C1OC(=O)C=C2)OC)C
InChI
InChI=1S/C20H20O6/c1-11(2)10-16(22)26-19(12(3)4)18(23)17-14(24-5)8-6-13-7-9-15(21)25-20(13)17/h6-10H,1-5H3
InChIKey
VALIYXXMXXVKDP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
97.26
TPSA
82.81

LogP / Solubility

WLOGP
3.79
MLOGP
3.35
XLogP3
4.4
Consensus LogP
3.85
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
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)
-2.2

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
2.5

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