CAS RN: 77259-96-2
5-broMo-8-Methoxy-3,4-dihydronaphthalen-1(2H)-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.20250210 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS77259-96-2
- Purity/Analytical Methods: >99.0%
77259-96-2 / 5-bromo-8-methoxy-3,4-dihydro-2H-naphthalen-1-one
Basic Information
CAS
77259-96-2
Multi CAS
No
Molecular Formula
C11H11BRO2
Molecular Weight
255.110000
Exact Mass
253.994240
InChI
InChI=1S/C11H11BrO2/c1-14-10-6-5-8(12)7-3-2-4-9(13)11(7)10/h5-6H,2-4H2,1H3
InChIKey
AYDWDRGUJFFJLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
57.96
TPSA
26.3
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
2.7
Consensus LogP
2.77
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly 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)
-2.16
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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