CAS RN: 111869-49-9
7-Deaza-2′,3′-dideoxyguanosine
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.20250429 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: LIND929958
111869-49-9 / 2-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
7-Deaza-2',3'-dideoxyguanosine | 7-Deaza-ddG | 2-Amino-7-((2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
Basic Information
CAS
111869-49-9
Multi CAS
Yes
Molecular Formula
C11H14N4O3
Molecular Weight
250.250000
Exact Mass
250.106590
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=CC3=C2N=C(NC3=O)N
InChI
InChI=1S/C11H14N4O3/c12-11-13-9-7(10(17)14-11)3-4-15(9)8-2-1-6(5-16)18-8/h3-4,6,8,16H,1-2,5H2,(H3,12,13,14,17)/t6-,8+/m0/s1
InChIKey
IRKZBFORRGBSAO-POYBYMJQSA-N
Synonyms
7-Deaza-2',3'-dideoxyguanosine
7-Deaza-ddG
2-Amino-7-((2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
2-AMINO-7-[(2R,5S)-5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-PYRROLO[2,3-D]PYRIMIDIN-4-ONE
2-Amino-7-((2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
65
TPSA
106.16
LogP / Solubility
WLOGP
-0.02
MLOGP
-0.01
XLogP3
-1
Consensus LogP
-0.34
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
Class (SILICOS-IT)
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)
-4.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
