CAS RN: 474376-65-3
7,10-Methanophenanthridine-2-carboxylicacid,5,6,6a,7,8,9,10,10a-octahydro-6-phenyl-
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.20250902 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS474376-65-3
- Purity/Analytical Methods: >99.0%
474376-65-3 / 10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxylic acid
Basic Information
CAS
474376-65-3
Multi CAS
No
Molecular Formula
C21H21NO2
Molecular Weight
319.400000
Exact Mass
319.157229
InChI
InChI=1S/C21H21NO2/c23-21(24)15-8-9-17-16(11-15)18-13-6-7-14(10-13)19(18)20(22-17)12-4-2-1-3-5-12/h1-5,8-9,11,13-14,18-20,22H,6-7,10H2,(H,23,24)
InChIKey
PEIGAFLQZLAFNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
93.27
TPSA
49.33
LogP / Solubility
WLOGP
4.68
MLOGP
4.13
XLogP3
4.7
Consensus LogP
4.5
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8
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