CAS RN: 7499-65-2
1-bromo-3-nitronaphthalene
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.20250331 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS7499-65-2
- Purity/Analytical Methods: >99.0%
7499-65-2 / 1-bromo-3-nitronaphthalene
Basic Information
CAS
7499-65-2
Multi CAS
No
Molecular Formula
BC10H6O2Rn
Molecular Weight
252.060000
Exact Mass
250.958190
InChI
InChI=1S/C10H6BrNO2/c11-10-6-8(12(13)14)5-7-3-1-2-4-9(7)10/h1-6H
InChIKey
KXCNOTIUELQJIZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
58.3
TPSA
43.14
LogP / Solubility
WLOGP
3.51
MLOGP
3.1
XLogP3
3.7
Consensus LogP
3.44
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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