CAS RN: 698999-09-6
5′-CHLORO-5′-DEOXYADENOSINE HYDRATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250708 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS698999-09-6
- Purity/Analytical Methods: >99.0%
698999-09-6 / (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(chloromethyl)oxolane-3,4-diol;hydrate
Basic Information
CAS
698999-09-6
Multi CAS
Yes
Molecular Formula
C10H14CLN5O4
Molecular Weight
303.700000
Exact Mass
303.073432
InChI
InChI=1S/C10H12ClN5O3.H2O/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16;/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14);1H2/t4-,6-,7-,10-;/m1./s1
InChIKey
XFACRIDKAAYORV-MCDZGGTQSA-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
3
Molar refractivity
69.99
TPSA
150.81
LogP / Solubility
WLOGP
-1.56
MLOGP
-1.36
XLogP3
-1.56
Consensus LogP
-1.49
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
Class (SILICOS-IT)
Very 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)
-5.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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