CAS RN: 4514-04-9
7,8,9,10-TETRAHYDRO-6(5H)-PHENANTHRIDINONE
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.20260618 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS4514-04-9
- Purity/Analytical Methods: >99.0%
4514-04-9 / 7,8,9,10-tetrahydro-5H-phenanthridin-6-one
Basic Information
CAS
4514-04-9
Multi CAS
Yes
Molecular Formula
C13H13NO
Molecular Weight
199.250000
Exact Mass
199.099714
InChI
InChI=1S/C13H13NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h3-4,6,8H,1-2,5,7H2,(H,14,15)
InChIKey
OTXJKBUDMLOVIB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.31
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.21
TPSA
32.86
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
2.3
Consensus LogP
2.28
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
