CAS RN: 1005268-64-3
7,10-Methanophenanthridine-2-carboxamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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.20260208 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1005268-64-3
- Purity/Analytical Methods: >99.0%
1005268-64-3 / N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxamide | MFCD04215212 | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
Basic Information
CAS
1005268-64-3
Multi CAS
No
Molecular Formula
C29H28N2O3
Molecular Weight
452.500000
Exact Mass
452.209993
SMILES
C1CC2CC1C3C2C4=C(C=CC(=C4)C(=O)NC5=CC6=C(C=C5)OCCO6)NC3C7=CC=CC=C7
InChI
InChI=1S/C29H28N2O3/c32-29(30-21-9-11-24-25(16-21)34-13-12-33-24)20-8-10-23-22(15-20)26-18-6-7-19(14-18)27(26)28(31-23)17-4-2-1-3-5-17/h1-5,8-11,15-16,18-19,26-28,31H,6-7,12-14H2,(H,30,32)
InChIKey
FUOXJMCDOJWLNF-UHFFFAOYSA-N
Synonyms
N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxamide
MFCD04215212
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
C29H28N2O3
BS-48638
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.34
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
131.69
TPSA
59.59
LogP / Solubility
WLOGP
6.01
MLOGP
5.32
XLogP3
5.8
Consensus LogP
5.71
Log S (ESOL)
-6.62
Class (ESOL)
Insoluble
Log S (Ali)
-7.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9
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