CAS RN: 91-39-4
2-Nitro 4′ Chloro Diphenyl Ether
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250131 | 10g | Out of stock | Inquiry | |
| Batchno.20250923 | 1g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260603 | 250mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260117 | 5g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS91-39-4
- Purity/Analytical Methods: >99.0%
91-39-4 / 4-chloro-2-nitro-1-phenoxybenzene
Basic Information
CAS
91-39-4
Multi CAS
Yes
Molecular Formula
C12H8CLNO3
Molecular Weight
249.650000
Exact Mass
249.019271
InChI
InChI=1S/C12H8ClNO3/c13-9-6-7-12(11(8-9)14(15)16)17-10-4-2-1-3-5-10/h1-8H
InChIKey
OJESLZHZRVDKCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
64.62
TPSA
52.37
LogP / Solubility
WLOGP
4.04
MLOGP
3.56
XLogP3
3.8
Consensus LogP
3.8
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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