CAS RN: 71751-77-4
MELEAGRIN
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.20250207 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS71751-77-4
- Purity/Analytical Methods: >99.0%
71751-77-4 / 11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione
Basic Information
CAS
71751-77-4
Multi CAS
Yes
Molecular Formula
C23H23N5O4
Molecular Weight
433.500000
Exact Mass
433.175004
InChI
InChI=1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)
InChIKey
JTJJJLSLKZFEPJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
11
Fraction Csp3
0.26
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
3
Molar refractivity
116.58
TPSA
110.79
LogP / Solubility
WLOGP
2.35
MLOGP
2.1
XLogP3
3
Consensus LogP
2.48
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-3.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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