CAS RN: 14287-99-1
N,N,N”,N”-TETRAISOBUTYL-MALONAMIDE
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.20250609 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS14287-99-1
- Purity/Analytical Methods: >99.0%
14287-99-1 / N,N,N',N'-tetrakis(2-methylpropyl)propanediamide
Basic Information
CAS
14287-99-1
Multi CAS
No
Molecular Formula
C19H38N2O2
Molecular Weight
326.500000
Exact Mass
326.293328
SMILES
CC(C)CN(CC(C)C)C(=O)CC(=O)N(CC(C)C)CC(C)C
InChI
InChI=1S/C19H38N2O2/c1-14(2)10-20(11-15(3)4)18(22)9-19(23)21(12-16(5)6)13-17(7)8/h14-17H,9-13H2,1-8H3
InChIKey
ZABBKBCPKIMSFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.89
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
97.13
TPSA
40.62
LogP / Solubility
WLOGP
3.66
MLOGP
3.23
XLogP3
4.7
Consensus LogP
3.86
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11
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
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- CAS RN: 14292-29-6
- Product Code: starshine_CAS14292-29-6
- Purity/Analytical method: >99.0%
