CAS RN: 24757-70-8
CLADRIBINE RELATED COMPOUND A (20 MG) (2-METHOXY-2′-DEOXYADENOSINE)
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.20250722 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS24757-70-8
- Purity/Analytical Methods: >99.0%
24757-70-8 / (2R,3S,5R)-5-(6-amino-2-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Basic Information
CAS
24757-70-8
Multi CAS
No
Molecular Formula
C11H15N5O4
Molecular Weight
281.270000
Exact Mass
281.112404
SMILES
COC1=NC(=C2C(=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O)N
InChI
InChI=1S/C11H15N5O4/c1-19-11-14-9(12)8-10(15-11)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/t5-,6+,7+/m0/s1
InChIKey
HGRICISHTIAZJG-RRKCRQDMSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
3
Molar refractivity
67.91
TPSA
128.54
LogP / Solubility
WLOGP
-0.94
MLOGP
-0.82
XLogP3
0.1
Consensus LogP
-0.55
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
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)
-5.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
