CAS RN: 7745-89-3
Benzenamine, 3-chloro-4-methyl-, hydrochloride
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.20260504 | 1g / 5g / 25g / 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS7745-89-3
- Purity/Analytical Methods: >99.0%
7745-89-3 / 3-chloro-4-methylaniline;hydrochloride
Basic Information
CAS
7745-89-3
Multi CAS
No
Molecular Formula
C7H9CL2N
Molecular Weight
178.060000
Exact Mass
177.011205
InChI
InChI=1S/C7H8ClN.ClH/c1-5-2-3-6(9)4-7(5)8;/h2-4H,9H2,1H3;1H
InChIKey
YOQUZCNSUOJWQS-UHFFFAOYSA-N
Physical Properties
Physical Description
Technical product is grey solid with a mothball-like odor; End-use product is solid bait; [Reference #1] White powder
State
Solid
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
47.85
TPSA
26.02
LogP / Solubility
WLOGP
2.65
MLOGP
2.33
XLogP3
2.65
Consensus LogP
2.54
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-1.92
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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