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CAS 479-91-4 CASTICIN molecular structure lightbox
CAS RN: 479-91-4

CASTICIN

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251208 100mg In stock Shanghai Inquiry
Batchno.20250713 10mg In stock Shanghai Inquiry
Batchno.20250522 250mg In stock Shanghai Inquiry
Batchno.20250613 25mg In stock Shanghai Inquiry
Batchno.20250601 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS479-91-4
  • Purity/Analytical Methods: >99.0%
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479-91-4 / 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one

Standard CAS: 479-91-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
479-91-4
Multi CAS
No
Molecular Formula
C19H18O8
Molecular Weight
374.300000
Exact Mass
374.100168
InChI
InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
InChIKey
PJQLSMYMOKWUJG-UHFFFAOYSA-N

Physical Properties

Melting Point
186 - 187 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
2
Molar refractivity
97.46
TPSA
107.59

LogP / Solubility

WLOGP
2.91
MLOGP
2.58
XLogP3
3.1
Consensus LogP
2.86
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
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)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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