CAS RN: 74720-35-7
XR 334
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.20250705 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS74720-35-7
- Purity/Analytical Methods: >99.0%
74720-35-7 / (3Z,6Z)-3-benzylidene-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
Basic Information
CAS
74720-35-7
Multi CAS
Yes
Molecular Formula
C19H16N2O3
Molecular Weight
320.300000
Exact Mass
320.116092
InChI
InChI=1S/C19H16N2O3/c1-24-15-9-7-14(8-10-15)12-17-19(23)20-16(18(22)21-17)11-13-5-3-2-4-6-13/h2-12H,1H3,(H,20,23)(H,21,22)/b16-11-,17-12-
InChIKey
QMUALMJMQXNBIA-LSQIQBGYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
93.5
TPSA
74.95
LogP / Solubility
WLOGP
0.73
MLOGP
0.66
XLogP3
2.9
Consensus LogP
1.43
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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