CAS RN: 878019-47-7
Coumberone
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260224 | 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS878019-47-7
- Purity/Analytical Methods: >99.0%
878019-47-7 / 6-benzoyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
Basic Information
CAS
878019-47-7
Multi CAS
No
Molecular Formula
C22H19NO3
Molecular Weight
345.400000
Exact Mass
345.136493
InChI
InChI=1S/C22H19NO3/c24-19-13-17(21(25)14-6-2-1-3-7-14)18-12-15-8-4-10-23-11-5-9-16(20(15)23)22(18)26-19/h1-3,6-7,12-13H,4-5,8-11H2
InChIKey
DGJJSADMDWUKOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
101.21
TPSA
50.52
LogP / Solubility
WLOGP
3.72
MLOGP
3.29
XLogP3
3.9
Consensus LogP
3.64
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
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)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
1H-Benzimidazole-6-carbonitrile, 2-(aminomethyl)-
- CAS RN: 878025-51-5
- Product Code: SSC-198108
-
R-3,3′-bis([1,1′-biphenyl]-4-yl)-5,5′,6,6′,7,7′,8,8′-octahydro-[1,1′-Binaphthalene]-2,2′-diol
- CAS RN: 878049-66-2
- Product Code: SSC-198110
-
-
S-4-oxide-4-hydroxy-2,6-bis(4-nitrophenyl)- Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
- CAS RN: 878111-16-1
- Product Code: SSC-198117
-
(S)-(+)-3,3′-BIS(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-1,1′-BINAPHTHYL-2,2′-DIYL HYDROGENPHOSPHATE
- CAS RN: 878111-17-2
- Product Code: SSC-198118
-
S-4-oxide-4-hydroxy-2,6-bis(2,4,6-triMethylphenyl)-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
- CAS RN: 878111-18-3
- Product Code: SSC-198119
![CAS 878049-66-2 R-3,3′-bis([1,1′-biphenyl]-4-yl)-5,5′,6,6′,7,7′,8,8′-octahydro-[1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/878049-66-2.gif)
![CAS 878111-16-1 S-4-oxide-4-hydroxy-2,6-bis(4-nitrophenyl)- Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/878111-16-1.gif)
![CAS 878111-18-3 S-4-oxide-4-hydroxy-2,6-bis(2,4,6-triMethylphenyl)-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/878111-18-3.gif)