CAS RN: 35943-35-2
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8 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260515 | 100mg | Out of stock | Inquiry | |
| Batchno.20250613 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250712 | 1g | Out of stock | Inquiry | |
| Batchno.20250704 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251205 | 250mg | Out of stock | Inquiry | |
| Batchno.20250312 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250909 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250706 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS35943-35-2
- Purity/Analytical Methods: >99.0%
35943-35-2 / (2R,3R,4S,5R)-2-(5-amino-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Basic Information
CAS
35943-35-2
Multi CAS
Yes
Molecular Formula
C13H16N6O4
Molecular Weight
320.300000
Exact Mass
320.123303
InChI
InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1
InChIKey
HOGVTUZUJGHKPL-HTVVRFAVSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
10
H-bond donors
4
Molar refractivity
79.66
TPSA
142.25
LogP / Solubility
WLOGP
-1.89
MLOGP
-1.65
XLogP3
-1.6
Consensus LogP
-1.71
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
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)
-6.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
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