Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 25g, 100g, 500g, 1000g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
90-11-9 / 1-bromonaphthalene
Basic Information
CAS
90-11-9
Multi CAS
Yes
Molecular Formula
C10H7BR
Molecular Weight
207.070000
Exact Mass
205.973110
InChI
InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey
DLKQHBOKULLWDQ-UHFFFAOYSA-N
Physical Properties
Physical Description
Oily liquid; mp = 0.2-0.7 deg C or 6.2 deg C (depends on form of solid); [Merck Index] Thick colorless liquid with a pungent odor; [Hawley] Light yellow oily liquid; mp = -1 deg C
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
10
Molar refractivity
51.65
TPSA
0.0000
LogP / Solubility
WLOGP
3.6
MLOGP
3.17
XLogP3
4.3
Consensus LogP
3.69
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Poorly 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)
-1.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
