CAS RN: 1052147-86-0
N-(4-cyanophenylmethyl)-4-(2-diphenyl)-1-piperazinehexanamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251218 | 5mg / 10mg / 50mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1052147-86-0
- Purity/Analytical Methods: >99.0%
1052147-86-0 / N-[(4-cyanophenyl)methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
LP-211 | N-[(4-cyanophenyl)methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide | NCS2VAH93R
Basic Information
CAS
1052147-86-0
Multi CAS
Yes
Molecular Formula
C30H34N4O
Molecular Weight
466.600000
Exact Mass
466.273262
SMILES
C1CN(CCN1CCCCCC(=O)NCC2=CC=C(C=C2)C#N)C3=CC=CC=C3C4=CC=CC=C4
InChI
InChI=1S/C30H34N4O/c31-23-25-14-16-26(17-15-25)24-32-30(35)13-5-2-8-18-33-19-21-34(22-20-33)29-12-7-6-11-28(29)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-22,24H2,(H,32,35)
InChIKey
BQEDZLDNNBDKDS-UHFFFAOYSA-N
Synonyms
LP-211
N-[(4-cyanophenyl)methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
NCS2VAH93R
4-(1,1'-Biphenyl)-2-yl-N-((4-cyanophenyl)methyl)-1-piperazinehexanamide
N-((4-cyanophenyl)methyl)-6-(4-(2-phenylphenyl)piperazin-1-yl)hexanamide
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
142
TPSA
59.37
LogP / Solubility
WLOGP
5.22
MLOGP
4.63
XLogP3
5
Consensus LogP
4.95
Log S (ESOL)
-5.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.23
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
α,β-Dioxo-N-N-diMethyltryptaMine 5-Carboxylic Acid Methyl Ester
- CAS RN: 1052181-84-6
- Product Code: SSC-006934
-
“(9S)-9-Amino-9-deoxyquinine-R,R-DHAC-thiourea”
- CAS RN: 1052184-48-1
- Product Code: SSC-006935
-
N-[(1R,2R)-2-aMinocyclohexyl]-N’-[(9R)-6′-Methoxycinchonan-9-yl]- thiourea
- CAS RN: 1052187-54-8
- Product Code: starshine_CAS1052187-54-8
- Purity/Analytical method: >99.0%
-
-
-
(5R)-5-(phenylMethyl)-3-Morpholinone
- CAS RN: 1052210-00-0
- Product Code: starshine_CAS1052210-00-0
- Purity/Analytical method: >99.0%
![CAS 1052187-54-8 N-[(1R,2R)-2-aMinocyclohexyl]-N’-[(9R)-6′-Methoxycinchonan-9-yl]- thiourea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1052187-54-8.gif)
