CAS RN: 74672-01-8
1,5-Dichloro-3-Methoxy-2-nitrobenzene
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.20251220 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS74672-01-8
- Purity/Analytical Methods: >99.0%
74672-01-8 / 1,5-dichloro-3-methoxy-2-nitrobenzene
Basic Information
CAS
74672-01-8
Multi CAS
No
Molecular Formula
C7H5CL2NO3
Molecular Weight
222.020000
Exact Mass
220.964648
InChI
InChI=1S/C7H5Cl2NO3/c1-13-6-3-4(8)2-5(9)7(6)10(11)12/h2-3H,1H3
InChIKey
YVBJIJGYOHMSQV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
49.67
TPSA
52.37
LogP / Solubility
WLOGP
2.91
MLOGP
2.56
XLogP3
3
Consensus LogP
2.82
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-2.01
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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