Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
59815-19-9 / 4-bromo-3-sulfamoylbenzoic acid
Basic Information
CAS
59815-19-9
Multi CAS
No
Molecular Formula
BC7H6O4RnS
Molecular Weight
280.100000
Exact Mass
278.920090
InChI
InChI=1S/C7H6BrNO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)
InChIKey
XDNAVLYDHZTCRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.47
TPSA
97.46
LogP / Solubility
WLOGP
0.79
MLOGP
0.71
XLogP3
0.7
Consensus LogP
0.73
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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6H-1,4-Dioxino[2,3-f]indole-7-carboxylic acid, 2,3-dihydro-
- CAS RN: 59820-87-0
- Product Code: SSC-168392
![CAS 59820-87-0 6H-1,4-Dioxino[2,3-f]indole-7-carboxylic acid, 2,3-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59820-87-0.gif)