CAS RN: 2213-80-1
1,2-Dichloro-3,5-dinitrobenzene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260301 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS2213-80-1
- Purity/Analytical Methods: >99.0%
2213-80-1 / 1,2-dichloro-3,5-dinitrobenzene
Basic Information
CAS
2213-80-1
Multi CAS
No
Molecular Formula
C6H2Cl2N2O4
Molecular Weight
236.990000
Exact Mass
235.939162
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H2Cl2N2O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H
InChIKey
UDZACPYKQWPMBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
49.77
TPSA
86.28
LogP / Solubility
WLOGP
2.81
MLOGP
2.48
XLogP3
3.5
Consensus LogP
2.93
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly 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)
-2.17
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
Customers Also Viewed
-
2-Chloro-5-(1,1-dimethylethyl)-1,3-dinitrobenzene
- CAS RN: 2213-81-2
- Product Code: starshine_CAS2213-81-2
- Purity/Analytical method: >99.0%
-
-
-
-
PINOSYLVIN
- CAS RN: 22139-77-1
- Product Code: starshine_CAS22139-77-1
- Purity/Analytical method: >99.0%
-
2-METHYLTHIOADENOSINE 5-MONOPHOSPHATE
- CAS RN: 22140-20-1
- Product Code: starshine_CAS22140-20-1
- Purity/Analytical method: >99.0%
