CAS RN: 331963-29-2
I2906
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.20250717 | 100mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS331963-29-2
- Purity/Analytical Methods: >99.0%
331963-29-2 / 1-ethyl-4-hydroxy-2-oxo-N'-tridecanoylquinoline-3-carbohydrazide
Basic Information
CAS
331963-29-2
Multi CAS
No
Molecular Formula
C25H37N3O4
Molecular Weight
443.600000
Exact Mass
443.278407
InChI
InChI=1S/C25H37N3O4/c1-3-5-6-7-8-9-10-11-12-13-18-21(29)26-27-24(31)22-23(30)19-16-14-15-17-20(19)28(4-2)25(22)32/h14-17,30H,3-13,18H2,1-2H3,(H,26,29)(H,27,31)
InChIKey
WIEYSVJHCLJOJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
10
Fraction Csp3
0.56
Rotatable bonds
13
H-bond acceptors
5
H-bond donors
3
Molar refractivity
127.62
TPSA
100.43
LogP / Solubility
WLOGP
4.8
MLOGP
4.25
XLogP3
7
Consensus LogP
5.35
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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