CAS RN: 40627-30-3
7-Deaza-2′,3′-dideoxyadenosine
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.20250511 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: LIND929959
40627-30-3 / [(2S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
Basic Information
CAS
40627-30-3
Multi CAS
Yes
Molecular Formula
C11H14N4O2
Molecular Weight
234.250000
Exact Mass
234.111676
InChI
InChI=1S/C11H14N4O2/c12-10-8-3-4-15(11(8)14-6-13-10)9-2-1-7(5-16)17-9/h3-4,6-7,9,16H,1-2,5H2,(H2,12,13,14)/t7-,9+/m0/s1
InChIKey
IMONOBVOMFRFGW-IONNQARKSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
62.17
TPSA
86.19
LogP / Solubility
WLOGP
0.68
MLOGP
0.61
XLogP3
0.1
Consensus LogP
0.46
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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