CAS RN: 607-96-5
4-(4-Nitrophenylazo)orcinol
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.20250404 | 200mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTN0324
- Purity/Analytical Methods: >80.0%(HPLC)
607-96-5 / 5-methyl-4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol
Basic Information
CAS
607-96-5
Multi CAS
Yes
Molecular Formula
C13H11N3O4
Molecular Weight
273.240000
Exact Mass
273.074956
InChI
InChI=1S/C13H11N3O4/c1-8-6-11(17)7-12(18)13(8)15-14-9-2-4-10(5-3-9)16(19)20/h2-7,17-18H,1H3
InChIKey
XDOOUKIUNUWEFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
71.78
TPSA
108.32
LogP / Solubility
WLOGP
3.73
MLOGP
3.29
XLogP3
3.2
Consensus LogP
3.41
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
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)
-1.74
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
No
Synthetic Accessibility
1.5
