CAS RN: 2243-76-7
Mordant Orange 1
Product Availability
Choose a grade to view its available package options.
17 package records13 with current stock9 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251115 | 100ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250527 | 100ml | In stock | Shanghai, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250327 | 500g | Out of stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251227 | 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250315 | 100ml / 500ml | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTA0579
- Purity/Analytical Methods: >98.0%(HPLC)
2243-76-7 / 2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
Basic Information
CAS
2243-76-7
Multi CAS
No
Molecular Formula
C13H9N3O5
Molecular Weight
287.230000
Exact Mass
287.054220
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C13H9N3O5/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21/h1-7,17H,(H,18,19)
InChIKey
YVJPMMYYRNHJAU-UHFFFAOYSA-N
Physical Properties
Physical Description
Orange-brown solid; [Merck Index] Dark brown solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
72.34
TPSA
125.39
LogP / Solubility
WLOGP
3.41
MLOGP
3.01
XLogP3
4.1
Consensus LogP
3.51
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
-
Cresol Red
- CAS RN: 1733-12-6
- Product Code: ICTC0406
- Purity/Analytical method: >98.0%(HPLC)
-
-
Mordant Black 17 [Indicator for Complexometry]
- CAS RN: 2538-85-4
- Product Code: SSC-121302
![CAS 101-64-4 Variamine Blue B Base [Redox Indicator] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m0493-jpgcontextbwfzdgvyfhjvb3r8mjywmzv8aw1hz2uvanblz3xozwuvagvilzg5mzeyodeynzi4njivtta0otmuanbnfdyxotk1ndu4ztjhzwq5ogezowq5mmzmyjbjodm0nzm4zdc1mjewota1zdu1yjblytmxnmmwzgy5mtq2ndjkzjq.jpeg)
![CAS 2538-85-4 Mordant Black 17 [Indicator for Complexometry] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a0581-jpgcontextbwfzdgvyfhjvb3r8mzq4mdh8aw1hz2uvanblz3xootmvadc3lzg5mjgxodaxnzq4nzgvqta1odeuanbnfgqznzm5mjcxodhhnmyyodqzymy0ywy2nzzkndcxzgu0mdixy2rjmdmxmtvhnmi4owq3nddizmfhyzc0mgq1nwy.jpeg)