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CAS 19275-46-8 3-isomangostin molecular structure lightbox
CAS RN: 19275-46-8

3-isomangostin

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260311 100mg In stock Shanghai Inquiry
Batchno.20250926 10mg In stock Shanghai Inquiry
Batchno.20250818 25mg In stock Shanghai Inquiry
Batchno.20260226 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS19275-46-8
  • Purity/Analytical Methods: >99.0%
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19275-46-8 / 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-b]xanthen-6-one

Standard CAS: 19275-46-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
19275-46-8
Multi CAS
No
Molecular Formula
C24H26O6
Molecular Weight
410.500000
Exact Mass
410.172939
SMILES
CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(CC4)(C)C)O)O)OC)C
InChI
InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,10-11,25-26H,7-9H2,1-5H3
InChIKey
KJCDBAVVDILRMP-UHFFFAOYSA-N

Physical Properties

Melting Point
155 - 160 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
14
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
116.03
TPSA
89.13

LogP / Solubility

WLOGP
4.98
MLOGP
4.41
XLogP3
5.7
Consensus LogP
5.03
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.82
Class (SILICOS-IT)
Insoluble

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)
-1.69

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
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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