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CAS 1820034-05-6 Meliasendanin D molecular structure lightbox
CAS RN: 1820034-05-6

Meliasendanin D

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250610 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1820034-05-6
  • Purity/Analytical Methods: >99.0%
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1820034-05-6 / (1S,2S)-1-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propane-1,2,3-triol

Standard CAS: 1820034-05-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1820034-05-6
Multi CAS
No
Molecular Formula
C20H24O8
Molecular Weight
392.400000
Exact Mass
392.147118
SMILES
COC1=CC(=CC2=C1O[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)[C@@H]([C@H](CO)O)O
InChI
InChI=1S/C20H24O8/c1-26-16-6-10(3-4-14(16)23)19-13(8-21)12-5-11(18(25)15(24)9-22)7-17(27-2)20(12)28-19/h3-7,13,15,18-19,21-25H,8-9H2,1-2H3/t13-,15-,18-,19+/m0/s1
InChIKey
APJXMEVQVACVMD-KNEBKQPDSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
5
Molar refractivity
98.9
TPSA
128.84

LogP / Solubility

WLOGP
1.01
MLOGP
0.91
Consensus LogP
0.64
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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