CAS RN: 918659-56-0
Chaetominine
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.20251124 | 500μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS918659-56-0
- Purity/Analytical Methods: >99.0%
918659-56-0 / (1S,10S,13R,15S)-1-hydroxy-10-methyl-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione
Basic Information
CAS
918659-56-0
Multi CAS
Yes
Molecular Formula
C22H18N4O4
Molecular Weight
402.400000
Exact Mass
402.132805
InChI
InChI=1S/C22H18N4O4/c1-12-18(27)26-16-9-5-3-7-14(16)22(30)10-17(20(29)25(12)21(22)26)24-11-23-15-8-4-2-6-13(15)19(24)28/h2-9,11-12,17,21,30H,10H2,1H3/t12-,17+,21-,22-/m0/s1
InChIKey
GEURDGODABUDHB-TYTLQBBQSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
107.58
TPSA
95.74
LogP / Solubility
WLOGP
1.13
MLOGP
1.02
XLogP3
0.8
Consensus LogP
0.98
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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