CAS RN: 145743-63-1
WAY127093B (racemate)
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.20250301 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS145743-63-1
- Purity/Analytical Methods: >99.0%
145743-63-1 / 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrazolidine-1-carboxamide
Basic Information
CAS
145743-63-1
Multi CAS
No
Molecular Formula
C23H28N4O4
Molecular Weight
424.500000
Exact Mass
424.211055
SMILES
CN1C(CC(=O)N1C(=O)NCC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4
InChI
InChI=1S/C23H28N4O4/c1-26-19(13-22(28)27(26)23(29)25-15-16-6-5-11-24-14-16)17-9-10-20(30-2)21(12-17)31-18-7-3-4-8-18/h5-6,9-12,14,18-19H,3-4,7-8,13,15H2,1-2H3,(H,25,29)
InChIKey
JBTJXXDPSJKBRV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
114.32
TPSA
84
LogP / Solubility
WLOGP
3.44
MLOGP
3.06
XLogP3
3
Consensus LogP
3.17
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
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
Yes
Log Kp (skin permeation)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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