CAS RN: 1189944-10-2
Acetildenafil-d8
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.20260420 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1189944-10-2
- Purity/Analytical Methods: >99.0%
1189944-10-2 / 5-[2-ethoxy-5-[2-(2,2,3,3,5,5,6,6-octadeuterio-4-ethylpiperazin-1-yl)acetyl]phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
acetildenafil | Hongdenafil | TP0E2BW57H
Basic Information
CAS
1189944-10-2
Multi CAS
Yes
Molecular Formula
C25H34N6O3
Molecular Weight
474.600000
Exact Mass
474.319453
SMILES
[2H]C1(C(N(C(C(N1CC)([2H])[2H])([2H])[2H])CC(=O)C2=CC(=C(C=C2)OCC)C3=NC4=C(C(=O)N3)N(N=C4CCC)C)([2H])[2H])[2H]
InChI
InChI=1S/C25H34N6O3/c1-5-8-19-22-23(29(4)28-19)25(33)27-24(26-22)18-15-17(9-10-21(18)34-7-3)20(32)16-31-13-11-30(6-2)12-14-31/h9-10,15H,5-8,11-14,16H2,1-4H3,(H,26,27,33)/i11D2,12D2,13D2,14D2
InChIKey
RRBRQNALHKQCAI-FUEQIQQISA-N
Synonyms
acetildenafil
Hongdenafil
TP0E2BW57H
DTXSID10232178
RefChem:108985
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
15
Fraction Csp3
0.52
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
1
Molar refractivity
132.61
TPSA
96.35
LogP / Solubility
WLOGP
2.5
MLOGP
2.23
XLogP3
2.5
Consensus LogP
2.41
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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