![CAS 1155270-72-6 7-Bromo-2,3-dihydropyrano[4,3,2-de]quinoline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1155270-72-6.gif)
CAS RN: 1155270-72-6
7-Bromo-2,3-dihydropyrano[4,3,2-de]quinoline
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.20250616 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1155270-72-6
- Purity/Analytical Methods: >99.0%
1155270-72-6 / 10-bromo-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
7-bromo-2,3-dihydropyrano[4,3,2-de]quinoline | MFCD28956725 | 10-bromo-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
Basic Information
CAS
1155270-72-6
Multi CAS
Yes
Molecular Formula
C11H8BrNO
Molecular Weight
250.090000
Exact Mass
248.978930
SMILES
C1COC2=C3C1=CC=NC3=C(C=C2)Br
InChI
InChI=1S/C11H8BrNO/c12-8-1-2-9-10-7(4-6-14-9)3-5-13-11(8)10/h1-3,5H,4,6H2
InChIKey
NLNLIVVRQYUQHI-UHFFFAOYSA-N
Synonyms
7-bromo-2,3-dihydropyrano[4,3,2-de]quinoline
MFCD28956725
10-bromo-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
SCHEMBL133854
NLNLIVVRQYUQHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.18
H-bond acceptors
2
Molar refractivity
58.64
TPSA
22.12
LogP / Solubility
WLOGP
2.93
MLOGP
2.59
XLogP3
2.9
Consensus LogP
2.81
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly 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)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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