![CAS 1154654-11-1 “2,2””-dimethyl-[1,1′:4′,1″”-terphenyl]-4,4″”-diamine” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1154654-11-1.gif)
CAS RN: 1154654-11-1
“2,2””-dimethyl-[1,1′:4′,1″”-terphenyl]-4,4″”-diamine”
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.20260511 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1154654-11-1
- Purity/Analytical Methods: >99.0%
1154654-11-1 / 4-[4-(4-amino-2-methylphenyl)phenyl]-3-methylaniline
2,2''-Dimethyl-[1,1':4',1''-terphenyl]-4,4''-diamine | 4'-(4-amino-2-methylphenyl)-2-methyl-[1,1'-biphenyl]-4-amine | 2,2"-Dimethyl-[1,1':4',1"-terphenyl]-4,4"-diamine
Basic Information
CAS
1154654-11-1
Multi CAS
No
Molecular Formula
C20H20N2
Molecular Weight
288.400000
Exact Mass
288.162649
SMILES
CC1=C(C=CC(=C1)N)C2=CC=C(C=C2)C3=C(C=C(C=C3)N)C
InChI
InChI=1S/C20H20N2/c1-13-11-17(21)7-9-19(13)15-3-5-16(6-4-15)20-10-8-18(22)12-14(20)2/h3-12H,21-22H2,1-2H3
InChIKey
BREFVZKQBYELLJ-UHFFFAOYSA-N
Synonyms
2,2''-Dimethyl-[1,1':4',1''-terphenyl]-4,4''-diamine
4'-(4-amino-2-methylphenyl)-2-methyl-[1,1'-biphenyl]-4-amine
2,2"-Dimethyl-[1,1':4',1"-terphenyl]-4,4"-diamine
SCHEMBL8146040
CS-0170398
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
95.61
TPSA
52.04
LogP / Solubility
WLOGP
4.8
MLOGP
4.24
XLogP3
4.5
Consensus LogP
4.51
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 1154664-52-4 1-[4-Amino-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-[4-Amino-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
- CAS RN: 1154664-52-4
- Product Code: SSC-015215
-
-
6-bromo-5-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one
- CAS RN: 1154740-47-2
- Product Code: SSC-015224
-
6-bromo-5-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine
- CAS RN: 1154740-48-3
- Product Code: SSC-015225
-
4-AMino-2-chloro-3-fluorobenzeneboronic acid pinacol ester
- CAS RN: 1154740-65-4
- Product Code: SSC-015227
-
![CAS 1154664-52-4 1-[4-Amino-3-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1154664-52-4.gif)
![CAS 1154740-47-2 6-bromo-5-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1154740-47-2.gif)
![CAS 1154740-48-3 6-bromo-5-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1154740-48-3.gif)
![CAS 1154740-66-5 6-Bromo-5-chloro-4H-benzo[1,4]oxazin-3-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1154740-66-5.gif)