![CAS 1119450-16-6 2-[(2-amino-5-isopropylphenyl)dithio]-4-isopropylaniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82132664.gif)
CAS RN: 1119450-16-6
2-[(2-amino-5-isopropylphenyl)dithio]-4-isopropylaniline
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.20260316 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1119450-16-6
- Purity/Analytical Methods: >99.0%
1119450-16-6 / 2-[(2-amino-5-propan-2-ylphenyl)disulfanyl]-4-propan-2-ylaniline
2-[(2-amino-5-isopropylphenyl)dithio]-4-isopropylaniline | MFCD12027300 | 2,2'-Disulfanediylbis(4-isopropylaniline)
Basic Information
CAS
1119450-16-6
Multi CAS
No
Molecular Formula
C18H24N2S2
Molecular Weight
332.500000
Exact Mass
332.138091
SMILES
CC(C)C1=CC(=C(C=C1)N)SSC2=C(C=CC(=C2)C(C)C)N
InChI
InChI=1S/C18H24N2S2/c1-11(2)13-5-7-15(19)17(9-13)21-22-18-10-14(12(3)4)6-8-16(18)20/h5-12H,19-20H2,1-4H3
InChIKey
ZYXWNCWNPHKJDN-UHFFFAOYSA-N
Synonyms
2-[(2-amino-5-isopropylphenyl)dithio]-4-isopropylaniline
MFCD12027300
2,2'-Disulfanediylbis(4-isopropylaniline)
2-[(2-amino-5-propan-2-ylphenyl)disulfanyl]-4-propan-2-ylaniline
2-{[2-amino-5-(propan-2-yl)phenyl]disulfanyl}-4-(propan-2-yl)aniline
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
101.6
TPSA
52.04
LogP / Solubility
WLOGP
5.9
MLOGP
5.21
XLogP3
4.9
Consensus LogP
5.34
Log S (ESOL)
-5.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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