CAS RN: 6925-69-5
C.I. 564100
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.20250421 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS6925-69-5
- Purity/Analytical Methods: >99.0%
6925-69-5 / 2,11-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaen-3-one
Basic Information
CAS
6925-69-5
Multi CAS
Yes
Molecular Formula
C18H10N2O
Molecular Weight
270.300000
Exact Mass
270.079313
InChI
InChI=1S/C18H10N2O/c21-18-13-8-2-1-7-12(13)17-19-14-9-3-5-11-6-4-10-15(16(11)14)20(17)18/h1-10H
InChIKey
XFYQEBBUVNLYBR-UHFFFAOYSA-N
Physical Properties
Physical Description
Dry Powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
H-bond acceptors
2
Molar refractivity
83.4
TPSA
32.67
LogP / Solubility
WLOGP
3.89
MLOGP
3.43
XLogP3
3.4
Consensus LogP
3.57
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
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
No
Log Kp (skin permeation)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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- Purity/Analytical method: >99.0%
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