CAS RN: 96760-69-9
ADENOSINE AMINE CONGENER (ADAC)
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250816 | 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS96760-69-9
- Purity/Analytical Methods: >99.0%
96760-69-9 / N-(2-aminoethyl)-2-[4-[[2-[4-[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetyl]amino]phenyl]acetamide
Basic Information
CAS
96760-69-9
Multi CAS
Yes
Molecular Formula
C28H32N8O6
Molecular Weight
576.600000
Exact Mass
576.244481
InChI
InChI=1S/C29H34N8O5/c1-2-21-25(40)26(41)29(42-21)37-16-34-24-27(32-15-33-28(24)37)36-20-9-5-18(6-10-20)14-23(39)35-19-7-3-17(4-8-19)13-22(38)31-12-11-30/h3-10,15-16,21,25-26,29,40-41H,2,11-14,30H2,1H3,(H,31,38)(H,35,39)(H,32,33,36)/t21-,25-,26-,29-/m1/s1
InChIKey
CVVBUSUGXRSMSK-MGAWLJPUSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
21
Fraction Csp3
0.32
Rotatable bonds
11
H-bond acceptors
12
H-bond donors
7
Molar refractivity
152.6
TPSA
209.77
LogP / Solubility
WLOGP
-0.02
MLOGP
0.03
XLogP3
0.2
Consensus LogP
0.07
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.25
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
![CAS 96789-80-9 (S)-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/96789-80-9.gif)
