CAS RN: 15465-92-6
2-Chloro-6-O-methyl-inosine
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.20260426 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC888624
15465-92-6 / 2-(2-chloro-6-methoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Basic Information
CAS
15465-92-6
Multi CAS
No
Molecular Formula
C11H13ClN4O5
Molecular Weight
316.700000
Exact Mass
316.057447
SMILES
COC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)Cl
InChI
InChI=1S/C11H13ClN4O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3
InChIKey
QFGKCCNEHWKCTD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
3
Molar refractivity
69.89
TPSA
122.75
LogP / Solubility
WLOGP
-0.9
MLOGP
-0.78
XLogP3
0.6
Consensus LogP
-0.36
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
Class (SILICOS-IT)
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)
-5.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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