CAS RN: 62077-25-2
3,4-Dichloro-2-methylaniline
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.20260326 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS62077-25-2
- Purity/Analytical Methods: >99.0%
62077-25-2 / 3,4-dichloro-2-methylaniline
Basic Information
CAS
62077-25-2
Multi CAS
No
Molecular Formula
C7H7CL2N
Molecular Weight
176.040000
Exact Mass
174.995555
InChI
InChI=1S/C7H7Cl2N/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,10H2,1H3
InChIKey
NMIWDZYCBUCFON-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.61
TPSA
26.02
LogP / Solubility
WLOGP
2.88
MLOGP
2.54
XLogP3
2.9
Consensus LogP
2.77
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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