CAS RN: 1560797-76-3
N,N,N’,N’-Tetrapentylmalonamide
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.20260321 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTT1969
- Purity/Analytical Methods: >98.0%(N)
1560797-76-3 / N,N,N',N'-tetrapentylpropanediamide
Basic Information
CAS
1560797-76-3
Multi CAS
No
Molecular Formula
C23H46N2O2
Molecular Weight
382.600000
Exact Mass
382.355929
SMILES
CCCCCN(CCCCC)C(=O)CC(=O)N(CCCCC)CCCCC
InChI
InChI=1S/C23H46N2O2/c1-5-9-13-17-24(18-14-10-6-2)22(26)21-23(27)25(19-15-11-7-3)20-16-12-8-4/h5-21H2,1-4H3
InChIKey
SLCSFXNOZDNIFH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.91
Rotatable bonds
18
H-bond acceptors
2
Molar refractivity
115.88
TPSA
40.62
LogP / Solubility
WLOGP
5.79
MLOGP
5.12
XLogP3
6.5
Consensus LogP
5.8
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
