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CAS 448962-05-8 Rubinaphthin A molecular structure lightbox
CAS RN: 448962-05-8

Rubinaphthin A

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260330 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250919 25mg Out of stock 8-10 business days Inquiry
Batchno.20250311 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS448962-05-8
  • Purity/Analytical Methods: >99.0%
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448962-05-8 / 1-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxylic acid

Standard CAS: 448962-05-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
448962-05-8
Multi CAS
Yes
Molecular Formula
C17H18O9
Molecular Weight
366.300000
Exact Mass
366.095082
InChI
InChI=1S/C17H18O9/c18-6-11-13(20)14(21)15(22)17(26-11)25-10-5-9(16(23)24)12(19)8-4-2-1-3-7(8)10/h1-5,11,13-15,17-22H,6H2,(H,23,24)/t11-,13-,14+,15-,17-/m1/s1
InChIKey
SGTNXGSCHXKQJX-OQAPJDJNSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
6
Molar refractivity
86.97
TPSA
156.91

LogP / Solubility

WLOGP
-0.58
MLOGP
-0.49
XLogP3
0.7
Consensus LogP
-0.12
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
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)
-5.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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