CAS RN: 287980-84-1
BIRG 616 BS
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260128 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS287980-84-1
- Purity/Analytical Methods: >99.0%
287980-84-1 / 7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
Basic Information
CAS
287980-84-1
Multi CAS
Yes
Molecular Formula
C12H10N4O
Molecular Weight
226.230000
Exact Mass
226.085461
InChI
InChI=1S/C12H10N4O/c1-7-4-6-14-11-9(7)15-12(17)8-3-2-5-13-10(8)16-11/h2-6H,1H3,(H,15,17)(H,13,14,16)
InChIKey
RKCRKBSFEVQVSX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.45
TPSA
66.91
LogP / Solubility
WLOGP
2.09
MLOGP
1.85
XLogP3
1.3
Consensus LogP
1.75
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1H-pyrazole-1,4-dicarboxylic acid, 1-(1,1-dimethylethyl) ester
- CAS RN: 288083-62-5
- Product Code: SSC-130537
-
-
R-N,N’-bis[[2-(diphenylphosphino)phenyl]Methyl]-[1,1′-Binaphthalene]-2,2′-diaMine
- CAS RN: 288093-09-4
- Product Code: starshine_CAS288093-09-4
- Purity/Analytical method: >99.0%
-
2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1,5-DIFLUOROBENZENE
- CAS RN: 288101-48-4
- Product Code: SSC-130544
-
Platyphyllonol 5-O-β-D-xylopyranoside
- CAS RN: 288141-04-8
- Product Code: starshine_CAS288141-04-8
- Purity/Analytical method: >99.0%
-
Ophiogenin-3-O-α-L-rhaMnopyranosyl(1→2)[β-D-xylopyranosyl(1→3)]-β-D-glucopyranoside
- CAS RN: 288143-27-1
- Product Code: starshine_CAS288143-27-1
- Purity/Analytical method: >99.0%
![CAS 288093-09-4 R-N,N’-bis[[2-(diphenylphosphino)phenyl]Methyl]-[1,1′-Binaphthalene]-2,2′-diaMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/288093-09-4.png)
![CAS 288143-27-1 Ophiogenin-3-O-α-L-rhaMnopyranosyl(1→2)[β-D-xylopyranosyl(1→3)]-β-D-glucopyranoside molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/288143-27-1.png)