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CAS 23205-42-7 3-DEAZAURIDINE molecular structure lightbox
CAS RN: 23205-42-7

3-DEAZAURIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251126 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS23205-42-7
  • Purity/Analytical Methods: >99.0%
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23205-42-7 / 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione

Standard CAS: 23205-42-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23205-42-7
Multi CAS
No
Molecular Formula
C10H13NO6
Molecular Weight
243.210000
Exact Mass
243.074287
SMILES
C1C(=O)C=CN(C1=O)C2C(C(C(O2)CO)O)O
InChI
InChI=1S/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-3,6,8-10,12-13,15-16H,4H2/t6-,8-,9-,10-/m1/s1
InChIKey
CBOKZNLSFMZJJA-PEBGCTIMSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
53.37
TPSA
107.3

LogP / Solubility

WLOGP
-2.26
MLOGP
-1.98
XLogP3
-1.6
Consensus LogP
-1.95
Log S (ESOL)
0.21
Class (ESOL)
Highly soluble
Log S (Ali)
0.08
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.39
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)
-5.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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