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CAS 2535-20-8 Russupteridine IV molecular structure lightbox
CAS RN: 2535-20-8

Russupteridine IV

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250607 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2535-20-8
  • Purity/Analytical Methods: >99.0%
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2535-20-8 / 6,7-dimethyl-8-(2,3,4,5-tetrahydroxypentyl)pteridine-2,4-dione

Standard CAS: 2535-20-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2535-20-8
Multi CAS
No
Molecular Formula
C13H18N4O6
Molecular Weight
326.310000
Exact Mass
326.122634
SMILES
CC1=C(N(C2=NC(=O)NC(=O)C2=N1)CC(C(C(CO)O)O)O)C
InChI
InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)
InChIKey
SXDXRJZUAJBNFL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.54
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
5
Molar refractivity
78.11
TPSA
161.56

LogP / Solubility

WLOGP
-2.88
MLOGP
-2.52
XLogP3
-2.7
Consensus LogP
-2.7
Log S (ESOL)
-0.04
Class (ESOL)
Very soluble
Log S (Ali)
-0.16
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.01
Class (SILICOS-IT)
Highly 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)
-6.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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