CAS RN: 139755-85-4
Hydroxyhomosildenafil
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250930 | 100mg | In stock | Inquiry |
| Batchno.20250515 | 10mg | In stock | Inquiry |
| Batchno.20260626 | 1mg | In stock | Inquiry |
| Batchno.20250927 | 250mg | In stock | Inquiry |
| Batchno.20250511 | 25mg | In stock | Inquiry |
| Batchno.20250901 | 50mg | In stock | Inquiry |
| Batchno.20250409 | 5mg | In stock | Inquiry |
- Product code: starshine_CAS139755-85-4
- Purity/Analytical Methods: >99.0%
139755-85-4 / 5-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Basic Information
CAS
139755-85-4
Multi CAS
No
Molecular Formula
C23H32N6O5S
Molecular Weight
504.600000
Exact Mass
504.215489
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCC)C
InChI
InChI=1S/C23H32N6O5S/c1-4-6-18-20-21(27(3)26-18)23(31)25-22(24-20)17-15-16(7-8-19(17)34-5-2)35(32,33)29-11-9-28(10-12-29)13-14-30/h7-8,15,30H,4-6,9-14H2,1-3H3,(H,24,25,31)
InChIKey
NEYKRKVLEWKOBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
15
Fraction Csp3
0.52
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
2
Molar refractivity
132.01
TPSA
133.65
LogP / Solubility
WLOGP
0.97
MLOGP
0.89
XLogP3
0.8
Consensus LogP
0.89
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly 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)
-5.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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