CAS RN: 111452-72-3
4-(Diphenylmethyl)-1-(2,3-epoxypropyl)piperazine
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.20250503 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS111452-72-3
- Purity/Analytical Methods: >99.0%
111452-72-3 / 1-benzhydryl-4-(oxiran-2-ylmethyl)piperazine
1-(Diphenylmethyl)-4-[(oxiran-2-yl)methyl]piperazine | 1-benzhydryl-4-(oxiran-2-ylmethyl)piperazine | SCHEMBL5966233
Basic Information
CAS
111452-72-3
Multi CAS
No
Molecular Formula
C20H24N2O
Molecular Weight
308.400000
Exact Mass
308.188863
SMILES
C1CN(CCN1CC2CO2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H24N2O/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)22-13-11-21(12-14-22)15-19-16-23-19/h1-10,19-20H,11-16H2
InChIKey
PNBNIKKSFYNIFB-UHFFFAOYSA-N
Synonyms
1-(Diphenylmethyl)-4-[(oxiran-2-yl)methyl]piperazine
1-benzhydryl-4-(oxiran-2-ylmethyl)piperazine
SCHEMBL5966233
DTXSID10437287
PNBNIKKSFYNIFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
92.48
TPSA
19.01
LogP / Solubility
WLOGP
2.79
MLOGP
2.47
XLogP3
3
Consensus LogP
2.75
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
8-chloro-6-iodoquinoline
- CAS RN: 111454-67-2
- Product Code: starshine_CAS111454-67-2
- Purity/Analytical method: >99.0%
-
-
-
![CAS 111466-29-6 8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol,2,8-bis(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S,3R,8S,14R,15R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/111466-29-6.gif)
8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol,2,8-bis(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S,3R,8S,14R,15R)-
- CAS RN: 111466-29-6
- Product Code: starshine_CAS111466-29-6
- Purity/Analytical method: >99.0%
-
![CAS 111468-90-7 1-[5-(2,2,2-TRICHLOROACETYL)-1H-PYRROL-3-YL]-1-PROPANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/111468-90-7.gif)
1-[5-(2,2,2-TRICHLOROACETYL)-1H-PYRROL-3-YL]-1-PROPANONE
- CAS RN: 111468-90-7
- Product Code: SSC-012170
-
![CAS 111477-17-9 IMidazo[1,2-a]pyridine-8-Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/111477-17-9.gif)