CAS RN: 1119-29-5
4-MethylpentanaMide
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.20260610 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1119-29-5
- Purity/Analytical Methods: >99.0%
1119-29-5 / 4-methylpentanamide
Pentanamide, 4-methyl- | 4-Methylvaleramide | Valeramide, 4-methyl-
Basic Information
CAS
1119-29-5
Multi CAS
Yes
Molecular Formula
C6H13NO
Molecular Weight
115.170000
Exact Mass
115.099714
SMILES
CC(C)CCC(=O)N
InChI
InChI=1S/C6H13NO/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKey
ACMPWZQOUILVFB-UHFFFAOYSA-N
Synonyms
Pentanamide, 4-methyl-
4-Methylvaleramide
Valeramide, 4-methyl-
.gamma.-Methylvaleramide
gamma-Methylvaleramide
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.27
TPSA
43.09
LogP / Solubility
WLOGP
0.91
MLOGP
0.79
XLogP3
0.8
Consensus LogP
0.83
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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