CAS RN: 37630-23-2
1,2-dichloro-4-(2-nitro-vinyl)-benzene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260427 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS37630-23-2
- Purity/Analytical Methods: >99.0%
37630-23-2 / 1,2-dichloro-4-(2-nitroethenyl)benzene
Basic Information
CAS
37630-23-2
Multi CAS
Yes
Molecular Formula
C8H5CL2NO2
Molecular Weight
218.030000
Exact Mass
216.969734
InChI
InChI=1S/C8H5Cl2NO2/c9-7-2-1-6(5-8(7)10)3-4-11(12)13/h1-5H/b4-3+
InChIKey
XHGCFWXSHIHYFH-ONEGZZNKSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
52.49
TPSA
43.14
LogP / Solubility
WLOGP
3.24
MLOGP
2.85
XLogP3
3.4
Consensus LogP
3.16
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75
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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