![CAS 1155270-71-5 7-Bromo-5-chloro-2,3-dihydropyrano[4,3,2-de]quinoline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1155270-71-5.gif)
CAS RN: 1155270-71-5
7-Bromo-5-chloro-2,3-dihydropyrano[4,3,2-de]quinoline
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250209 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1155270-71-5
- Purity/Analytical Methods: >99.0%
1155270-71-5 / 10-bromo-7-chloro-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
7-bromo-5-chloro-2,3-dihydropyrano[4,3,2-de]quinoline | 7-Bromo-5-chloro-2,3-dihydropyrano(4,3,2-de)quinoline | RefChem:310450
Basic Information
CAS
1155270-71-5
Multi CAS
No
Molecular Formula
C11H7BrClNO
Molecular Weight
284.530000
Exact Mass
282.939950
SMILES
C1COC2=C3C1=CC(=NC3=C(C=C2)Br)Cl
InChI
InChI=1S/C11H7BrClNO/c12-7-1-2-8-10-6(3-4-15-8)5-9(13)14-11(7)10/h1-2,5H,3-4H2
InChIKey
WTMWNZRPJAVCPA-UHFFFAOYSA-N
Synonyms
7-bromo-5-chloro-2,3-dihydropyrano[4,3,2-de]quinoline
7-Bromo-5-chloro-2,3-dihydropyrano(4,3,2-de)quinoline
RefChem:310450
10-bromo-7-chloro-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
SCHEMBL135959
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.18
H-bond acceptors
2
Molar refractivity
63.65
TPSA
22.12
LogP / Solubility
WLOGP
3.59
MLOGP
3.17
XLogP3
3.8
Consensus LogP
3.52
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly 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)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![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)
