CAS RN: 7149-77-1
1,5-Dichloro-2-methyl-4-nitrobenzene
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.20260628 | 250mg / 500mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS7149-77-1
- Purity/Analytical Methods: >99.0%
7149-77-1 / 1,5-dichloro-2-methyl-4-nitrobenzene
Basic Information
CAS
7149-77-1
Multi CAS
Yes
Molecular Formula
C7H5CL2NO2
Molecular Weight
206.020000
Exact Mass
204.969734
InChI
InChI=1S/C7H5Cl2NO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3
InChIKey
OTHIQMSDVAQZQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.85
TPSA
43.14
LogP / Solubility
WLOGP
3.21
MLOGP
2.83
XLogP3
3.4
Consensus LogP
3.15
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly 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)
-1.7
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
