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CAS 485811-84-5 Mirabijalone D molecular structure lightbox
CAS RN: 485811-84-5

Mirabijalone D

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250607 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS485811-84-5
  • Purity/Analytical Methods: >99.0%
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485811-84-5 / 3,6,11-trihydroxy-9-methoxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one

Standard CAS: 485811-84-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
485811-84-5
Multi CAS
Yes
Molecular Formula
C18H14O7
Molecular Weight
342.300000
Exact Mass
342.073953
InChI
InChI=1S/C18H14O7/c1-7-10(23-2)6-12-14(15(7)20)16(21)13-9-4-3-8(19)5-11(9)25-18(22)17(13)24-12/h3-6,18-20,22H,1-2H3
InChIKey
SUWMBRRWYKHHDH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
3
Molar refractivity
88.13
TPSA
109.36

LogP / Solubility

WLOGP
2.57
MLOGP
2.28
XLogP3
2.4
Consensus LogP
2.42
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.14
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
No
Log Kp (skin permeation)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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