CAS RN: 30098-36-3
7-Bromo-5,8-dimethyl-3,4-dihydronaphthalen-1(2H)-one
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260306 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250121 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20260623 | 250mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20260414 | 5g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
- Product code: LINB897546
30098-36-3 / 7-bromo-5,8-dimethyl-3,4-dihydro-2H-naphthalen-1-one
Basic Information
CAS
30098-36-3
Multi CAS
No
Molecular Formula
C12H13BRO
Molecular Weight
253.130000
Exact Mass
252.014980
InChI
InChI=1S/C12H13BrO/c1-7-6-10(13)8(2)12-9(7)4-3-5-11(12)14/h6H,3-5H2,1-2H3
InChIKey
DICBLUWDHOXSEQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.42
H-bond acceptors
1
Molar refractivity
60.88
TPSA
17.07
LogP / Solubility
WLOGP
3.58
MLOGP
3.16
XLogP3
3.4
Consensus LogP
3.38
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
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)
-1.72
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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