CAS RN: 1260018-38-9
5-BROMO-7-CHLORO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-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.20250119 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1260018-38-9
- Purity/Analytical Methods: >99.0%
1260018-38-9 / 5-bromo-7-chloro-3,4-dihydro-2H-naphthalen-1-one
Basic Information
CAS
1260018-38-9
Multi CAS
No
Molecular Formula
C10H8BrClO
Molecular Weight
259.520000
Exact Mass
257.944710
SMILES
C1CC2=C(C=C(C=C2Br)Cl)C(=O)C1
InChI
InChI=1S/C10H8BrClO/c11-9-5-6(12)4-8-7(9)2-1-3-10(8)13/h4-5H,1-3H2
InChIKey
SHOTVTQZHPADGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
56.42
TPSA
17.07
LogP / Solubility
WLOGP
3.62
MLOGP
3.19
XLogP3
3.3
Consensus LogP
3.37
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly 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)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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