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CAS 61775-18-6 Rodiolinozide molecular structure lightbox
CAS RN: 61775-18-6

Rodiolinozide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250814 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS61775-18-6
  • Purity/Analytical Methods: >99.0%
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61775-18-6 / 1-[2-hydroxy-6-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone

Standard CAS: 61775-18-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61775-18-6
Multi CAS
No
Molecular Formula
C15H20O9
Molecular Weight
344.310000
Exact Mass
344.110732
InChI
InChI=1S/C15H20O9/c1-6(17)11-8(18)3-7(4-9(11)22-2)23-15-14(21)13(20)12(19)10(5-16)24-15/h3-4,10,12-16,18-21H,5H2,1-2H3/t10-,12-,13+,14-,15-/m1/s1
InChIKey
DNMNFEFVHVMPES-TVKJYDDYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
5
Molar refractivity
79.06
TPSA
145.91

LogP / Solubility

WLOGP
-1.22
MLOGP
-1.05
XLogP3
-0.6
Consensus LogP
-0.96
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
Class (SILICOS-IT)
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)
-5.69

Drug-likeness / Medicinal Chemistry

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

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