CAS RN: 187746-76-5
2-Bromo-7-Methyl-Naphthalene
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260113 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS187746-76-5
- Purity/Analytical Methods: >99.0%
187746-76-5 / 2-bromo-7-methylnaphthalene
Basic Information
CAS
187746-76-5
Multi CAS
No
Molecular Formula
C11H9Br
Molecular Weight
221.090000
Exact Mass
219.988760
SMILES
CC1=CC2=C(C=C1)C=CC(=C2)Br
InChI
InChI=1S/C11H9Br/c1-8-2-3-9-4-5-11(12)7-10(9)6-8/h2-7H,1H3
InChIKey
QPVFMEFJFFQONP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.09
Molar refractivity
56.39
TPSA
0.0000
LogP / Solubility
WLOGP
3.91
MLOGP
3.44
XLogP3
4.2
Consensus LogP
3.85
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29
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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