CAS RN: 30273-23-5
4-CHLORO-3-METHYLANILINE 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.20260523 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS30273-23-5
- Purity/Analytical Methods: >99.0%
30273-23-5 / 4-chloro-3-methylaniline;hydrochloride
Basic Information
CAS
30273-23-5
Multi CAS
No
Molecular Formula
C7H9CL2N
Molecular Weight
178.060000
Exact Mass
177.011205
InChI
InChI=1S/C7H8ClN.ClH/c1-5-4-6(9)2-3-7(5)8;/h2-4H,9H2,1H3;1H
InChIKey
OURXVKDUZPXMQX-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
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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