CAS RN: 4290-72-6
AKOS BBS-00005456
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.20250625 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4290-72-6
- Purity/Analytical Methods: >99.0%
4290-72-6 / 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione
Basic Information
CAS
4290-72-6
Multi CAS
No
Molecular Formula
C11H9NO2
Molecular Weight
187.190000
Exact Mass
187.063329
InChI
InChI=1S/C11H9NO2/c13-10-8-5-1-3-7-4-2-6-12(9(7)8)11(10)14/h1,3,5H,2,4,6H2
InChIKey
KNEFHXSZIJKTPK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.27
H-bond acceptors
2
Molar refractivity
51.45
TPSA
37.38
LogP / Solubility
WLOGP
1.16
MLOGP
1.02
XLogP3
1.3
Consensus LogP
1.16
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1-ETHYL-1H-INDOLE-2,3-DIONE
- CAS RN: 4290-94-2
- Product Code: starshine_CAS4290-94-2
- Purity/Analytical method: >99.0%
-
-
ACACETIN-7-GLUCOSIDE
- CAS RN: 4291-60-5
- Product Code: starshine_CAS4291-60-5
- Purity/Analytical method: >99.0%
-
Behenyl Trimethyl Ammonium Chloride
- CAS RN: 4292-25-5
- Product Code: starshine_CAS4292-25-5
- Purity/Analytical method: >99.0%
-
-
