CAS RN: 68200-68-0
5′-Deoxy-5′-iodoguanosine
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.20250929 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND888651
68200-68-0 / 2-amino-9-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]-1H-purin-6-one
Basic Information
CAS
68200-68-0
Multi CAS
Yes
Molecular Formula
C10H12In5O4
Molecular Weight
393.140000
Exact Mass
392.993400
InChI
InChI=1S/C10H12IN5O4/c11-1-3-5(17)6(18)9(20-3)16-2-13-4-7(16)14-10(12)15-8(4)19/h2-3,5-6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,5-,6-,9-/m1/s1
InChIKey
MELBRHQFQZYVJM-UUOKFMHZSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
4
Molar refractivity
77.37
TPSA
139.28
LogP / Solubility
WLOGP
-1.24
MLOGP
-1.07
XLogP3
-0.7
Consensus LogP
-1
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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