CAS RN: 1609405-34-6

N-Ethyl Tadalafil

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Batchno.20250829 10mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1609405-34-6
  • Purity/Analytical Methods: >99.0%
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1609405-34-6 / (2R,8R)-2-(1,3-benzodioxol-5-yl)-6-ethyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Standard CAS: 1609405-34-6 Multi CAS: No

Basic Information

CAS
1609405-34-6
Multi CAS
No
Molecular Formula
C23H21N3O4
Molecular Weight
403.400000
Exact Mass
403.153206
SMILES
CCN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36
InChI
InChI=1S/C23H21N3O4/c1-2-25-11-20(27)26-17(23(25)28)10-15-14-5-3-4-6-16(14)24-21(15)22(26)13-7-8-18-19(9-13)30-12-29-18/h3-9,17,22,24H,2,10-12H2,1H3/t17-,22-/m1/s1
InChIKey
QGNIMKVVHAXCSK-VGOFRKELSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
109.3
TPSA
74.87

LogP / Solubility

WLOGP
2.6
MLOGP
2.31
XLogP3
2.7
Consensus LogP
2.54
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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