CAS RN: 1119-49-9
N-BUTYLACETAMIDE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260205 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1119-49-9
- Purity/Analytical Methods: >99.0%
1119-49-9 / N-butylacetamide
N-Butylacetamide | ACETAMIDE, N-BUTYL- | EINECS 214-280-9
Basic Information
CAS
1119-49-9
Multi CAS
No
Molecular Formula
C6H13NO
Molecular Weight
115.170000
Exact Mass
115.099714
SMILES
CCCCNC(=O)C
InChI
InChI=1S/C6H13NO/c1-3-4-5-7-6(2)8/h3-5H2,1-2H3,(H,7,8)
InChIKey
GYLDXXLJMRTVSS-UHFFFAOYSA-N
Synonyms
N-Butylacetamide
ACETAMIDE, N-BUTYL-
EINECS 214-280-9
45F5O38HJS
NSC 27204
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
33.59
TPSA
29.1
LogP / Solubility
WLOGP
0.92
MLOGP
0.8
XLogP3
1
Consensus LogP
0.91
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-2.77
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
1.5
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