![CAS 1384431-48-4 4-[(4-chlorophenyl)sulfanyl]cyclohexan-1-amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1384431-48-4.gif)
CAS RN: 1384431-48-4
4-[(4-chlorophenyl)sulfanyl]cyclohexan-1-amine 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.20260423 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1384431-48-4
- Purity/Analytical Methods: >99.0%
1384431-48-4 / 4-(4-chlorophenyl)sulfanylcyclohexan-1-amine;hydrochloride
Basic Information
CAS
1384431-48-4
Multi CAS
No
Molecular Formula
C12H17Cl2NS
Molecular Weight
278.200000
Exact Mass
277.045876
SMILES
C1CC(CCC1N)SC2=CC=C(C=C2)Cl.Cl
InChI
InChI=1S/C12H16ClNS.ClH/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;/h1-2,5-6,10,12H,3-4,7-8,14H2;1H
InChIKey
QJHRVJCROCJMGA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
74.79
TPSA
26.02
LogP / Solubility
WLOGP
4.12
MLOGP
3.64
XLogP3
4.12
Consensus LogP
3.96
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1384535-76-5 (3aS,7aS)-2-(((2R,4R)-4-(((3aS,7aS)-1,3-diphenyloctahydro-2H-isophosphindol-2-yl)oxy)pentan-2-yl)oxy)-1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1384535-76-5.gif)
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