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CAS 13146-72-0 3′-deoxyinosine molecular structure lightbox
CAS RN: 13146-72-0

3′-deoxyinosine

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251113 10mg In stock Shanghai, Shandong Inquiry
Batchno.20260414 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS13146-72-0
  • Purity/Analytical Methods: >99.0%
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13146-72-0 / 9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

Standard CAS: 13146-72-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13146-72-0
Multi CAS
No
Molecular Formula
C10H12N4O4
Molecular Weight
252.230000
Exact Mass
252.085855
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2N=CNC3=O)CO
InChI
InChI=1S/C10H12N4O4/c15-2-5-1-6(16)10(18-5)14-4-13-7-8(14)11-3-12-9(7)17/h3-6,10,15-16H,1-2H2,(H,11,12,17)/t5-,6+,10+/m0/s1
InChIKey
RPZDLTVHZJHPAW-BAJZRUMYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
3
Molar refractivity
59.77
TPSA
113.26

LogP / Solubility

WLOGP
-1.24
MLOGP
-1.08
XLogP3
-1.7
Consensus LogP
-1.34
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.51
Class (SILICOS-IT)
Very 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)
-5.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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