CAS RN: 40023-89-0
1-(3,4-DICHLOROPHENYL)PROPAN-1-AMINE
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.20250914 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40023-89-0
- Purity/Analytical Methods: >99.0%
40023-89-0 / 1-(3,4-dichlorophenyl)propan-1-amine
Basic Information
CAS
40023-89-0
Multi CAS
No
Molecular Formula
C9H11CL2N
Molecular Weight
204.090000
Exact Mass
203.026855
InChI
InChI=1S/C9H11Cl2N/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5,9H,2,12H2,1H3
InChIKey
VBWRNUHVGFPJRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.68
TPSA
26.02
LogP / Solubility
WLOGP
3.4
MLOGP
3
XLogP3
3.6
Consensus LogP
3.33
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly 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)
-1.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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