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CAS 17934-15-5 7-O-Methyleucomol molecular structure lightbox
CAS RN: 17934-15-5

7-O-Methyleucomol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251024 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS17934-15-5
  • Purity/Analytical Methods: >99.0%
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17934-15-5 / (3S)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one

Standard CAS: 17934-15-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17934-15-5
Multi CAS
No
Molecular Formula
C18H18O6
Molecular Weight
330.300000
Exact Mass
330.110338
SMILES
COC1=CC=C(C=C1)C[C@@]2(COC3=CC(=CC(=C3C2=O)O)OC)O
InChI
InChI=1S/C18H18O6/c1-22-12-5-3-11(4-6-12)9-18(21)10-24-15-8-13(23-2)7-14(19)16(15)17(18)20/h3-8,19,21H,9-10H2,1-2H3/t18-/m0/s1
InChIKey
LZSFFWMTNAFHNX-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
86.13
TPSA
85.22

LogP / Solubility

WLOGP
1.96
MLOGP
1.74
XLogP3
2.7
Consensus LogP
2.13
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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