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CAS 2140-25-2 5′-O-Acetyl Adenosine molecular structure lightbox
CAS RN: 2140-25-2

5′-O-Acetyl Adenosine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260422 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2140-25-2
  • Purity/Analytical Methods: >99.0%
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2140-25-2 / [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate

Standard CAS: 2140-25-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2140-25-2
Multi CAS
No
Molecular Formula
C12H15N5O5
Molecular Weight
309.280000
Exact Mass
309.107319
SMILES
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C12H15N5O5/c1-5(18)21-2-6-8(19)9(20)12(22-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
InChIKey
RMIAANGDAQJRIT-WOUKDFQISA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
10
H-bond donors
3
Molar refractivity
72.29
TPSA
145.61

LogP / Solubility

WLOGP
-1.41
MLOGP
-1.23
XLogP3
-1
Consensus LogP
-1.21
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.86
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)
-5.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

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