CAS RN: 91428-39-6
1-(4-CHLOROPHENYL)PENTYLAMINE 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.20260622 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS91428-39-6
- Purity/Analytical Methods: >99.0%
91428-39-6 / 1-(4-chlorophenyl)pentan-1-amine;hydrochloride
Basic Information
CAS
91428-39-6
Multi CAS
No
Molecular Formula
C11H17CL2N
Molecular Weight
234.160000
Exact Mass
233.073805
InChI
InChI=1S/C11H16ClN.ClH/c1-2-3-4-11(13)9-5-7-10(12)8-6-9;/h5-8,11H,2-4,13H2,1H3;1H
InChIKey
KYYOOYWSKGABHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.15
TPSA
26.02
LogP / Solubility
WLOGP
3.95
MLOGP
3.48
XLogP3
3.95
Consensus LogP
3.79
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.34
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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