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CAS 580-72-3 MATAIRESINOL molecular structure lightbox
CAS RN: 580-72-3

MATAIRESINOL

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251210 10mg In stock Shanghai Inquiry
Batchno.20260220 1mg In stock Shanghai Inquiry
Batchno.20251228 25mg In stock Shanghai Inquiry
Batchno.20250913 50mg In stock Shanghai Inquiry
Batchno.20250608 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS580-72-3
  • Purity/Analytical Methods: >99.0%
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580-72-3 / (3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

Standard CAS: 580-72-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
580-72-3
Multi CAS
Yes
Molecular Formula
C20H22O6
Molecular Weight
358.400000
Exact Mass
358.141638
InChI
InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
InChIKey
MATGKVZWFZHCLI-LSDHHAIUSA-N

Physical Properties

Melting Point
119 °C
Physical Description
Solid Pearl white powder, Bland aroma
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
94.66
TPSA
85.22

LogP / Solubility

WLOGP
2.69
MLOGP
2.39
XLogP3
3.3
Consensus LogP
2.79
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
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)
-3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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