CAS RN: 1874-54-0
psicofuranine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260520 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1874-54-0
- Purity/Analytical Methods: >99.0%
1874-54-0 / (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
Basic Information
CAS
1874-54-0
Multi CAS
No
Molecular Formula
C11H15N5O5
Molecular Weight
297.270000
Exact Mass
297.107319
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@]3([C@@H]([C@@H]([C@H](O3)CO)O)O)CO)N
InChI
InChI=1S/C11H15N5O5/c12-9-6-10(14-3-13-9)16(4-15-6)11(2-18)8(20)7(19)5(1-17)21-11/h3-5,7-8,17-20H,1-2H2,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKey
BNZYRKVSCLSXSJ-IOSLPCCCSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
10
H-bond donors
5
Molar refractivity
68.77
TPSA
159.77
LogP / Solubility
WLOGP
-2.83
MLOGP
-2.48
XLogP3
-2.2
Consensus LogP
-2.5
Log S (ESOL)
-0.02
Class (ESOL)
Very soluble
Log S (Ali)
0.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.4
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)
-6.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
