CAS RN: 1199809-30-7
(2’R)-2′-Deoxy-6-O-ethyl-2′-fluoro-2′-methylguanosine
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.20250317 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1199809-30-7
- Purity/Analytical Methods: >99.0%
1199809-30-7 / (2R,3R,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
DTXSID30676752 | 9-(2-Deoxy-2-fluoro-2-methyl-beta-D-ribofuranosyl)-6-ethoxy-9H-purin-2-amine | RefChem:312763
Basic Information
CAS
1199809-30-7
Multi CAS
Yes
Molecular Formula
C13H18FN5O4
Molecular Weight
327.310000
Exact Mass
327.134282
SMILES
CCOC1=NC(=NC2=C1N=CN2[C@H]3[C@]([C@@H]([C@H](O3)CO)O)(C)F)N
InChI
InChI=1S/C13H18FN5O4/c1-3-22-10-7-9(17-12(15)18-10)19(5-16-7)11-13(2,14)8(21)6(4-20)23-11/h5-6,8,11,20-21H,3-4H2,1-2H3,(H2,15,17,18)/t6-,8-,11-,13-/m1/s1
InChIKey
IBPVHPXXSOANJN-VHQAPHLWSA-N
Synonyms
DTXSID30676752
9-(2-Deoxy-2-fluoro-2-methyl-beta-D-ribofuranosyl)-6-ethoxy-9H-purin-2-amine
RefChem:312763
DTXCID70627501
(2R,3R,4R,5R)-5-(2-amino-6-ethoxy-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyltetrahydrofuran-3-ol
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
3
Molar refractivity
77.42
TPSA
128.54
LogP / Solubility
WLOGP
-0.21
MLOGP
-0.17
Consensus LogP
-0.13
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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