CAS RN: 82840-40-2
3,5 – dibroMo – 6 – oxo – 6H – anthraisoxazole
- Product code: SSC-190884
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: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 2
- 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.
82840-40-2 / 10,12-dibromo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
Basic Information
CAS
82840-40-2
Multi CAS
No
Molecular Formula
C14H5BR2NO2
Molecular Weight
379.000000
Exact Mass
378.866650
InChI
InChI=1S/C14H5Br2NO2/c15-8-5-9(16)12-11-10(8)13(18)6-3-1-2-4-7(6)14(11)19-17-12/h1-5H
InChIKey
QBUSQHSUWRIYDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
H-bond acceptors
3
Molar refractivity
78.28
TPSA
43.1
LogP / Solubility
WLOGP
4.56
MLOGP
4.04
XLogP3
4.3
Consensus LogP
4.3
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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