![CAS 40463-28-3 2-METHOXY-8,9-DIHYDRO-5H-BENZO[7]ANNULEN-6(7H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/40463-28-3.gif)
CAS RN: 40463-28-3
2-METHOXY-8,9-DIHYDRO-5H-BENZO[7]ANNULEN-6(7H)-ONE
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.20250227 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS40463-28-3
- Purity/Analytical Methods: >99.0%
40463-28-3 / 2-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
Basic Information
CAS
40463-28-3
Multi CAS
No
Molecular Formula
C12H14O2
Molecular Weight
190.240000
Exact Mass
190.099380
InChI
InChI=1S/C12H14O2/c1-14-12-6-5-10-7-11(13)4-2-3-9(10)8-12/h5-6,8H,2-4,7H2,1H3
InChIKey
FJSOFAIBDQSRJG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.64
TPSA
26.3
LogP / Solubility
WLOGP
2.14
MLOGP
1.88
XLogP3
1.9
Consensus LogP
1.97
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately 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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
