CAS RN: 75693-17-3
6-BROMO-1,2-DIHYDRO-NAPHTHALENE
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.20260626 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS75693-17-3
- Purity/Analytical Methods: >99.0%
75693-17-3 / 6-bromo-1,2-dihydronaphthalene
Basic Information
CAS
75693-17-3
Multi CAS
No
Molecular Formula
C10H9BR
Molecular Weight
209.080000
Exact Mass
207.988760
InChI
InChI=1S/C10H9Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h2,4-7H,1,3H2
InChIKey
LOKQHPNLNHXWSQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Molar refractivity
51.5
TPSA
0.0000
LogP / Solubility
WLOGP
3.41
MLOGP
3
XLogP3
3.7
Consensus LogP
3.37
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-1.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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