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CAS 15763-11-8 2-Hydrazinoadenosine molecular structure lightbox
CAS RN: 15763-11-8

2-Hydrazinoadenosine

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8 package records8 with current stock2 grade groups
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Batchno.20250324 1g In stock Inquiry
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Batchno.20250718 100mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS15763-11-8
  • Purity/Analytical Methods: >99.0%
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15763-11-8 / (2R,3R,4S,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Standard CAS: 15763-11-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15763-11-8
Multi CAS
No
Molecular Formula
C10H15N7O4
Molecular Weight
297.270000
Exact Mass
297.118552
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NN)N
InChI
InChI=1S/C10H15N7O4/c11-7-4-8(15-10(14-7)16-12)17(2-13-4)9-6(20)5(19)3(1-18)21-9/h2-3,5-6,9,18-20H,1,12H2,(H3,11,14,15,16)/t3-,5-,6-,9-/m1/s1
InChIKey
BAYFDGKAUSOEIS-UUOKFMHZSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
11
H-bond donors
6
Molar refractivity
70.55
TPSA
177.59

LogP / Solubility

WLOGP
-2.69
MLOGP
-2.36
XLogP3
-1.5
Consensus LogP
-2.18
Log S (ESOL)
-0.1
Class (ESOL)
Very soluble
Log S (Ali)
-0.05
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.28
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)
-6.45

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H361 (66.7%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501

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