[email protected]
CAS 1016841-03-4 N-(2-acetylphenyl)pentanamide molecular structure lightbox
CAS RN: 1016841-03-4

N-(2-acetylphenyl)pentanamide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250720 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1016841-03-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1016841-03-4 / N-(2-acetylphenyl)pentanamide

N-(2-acetylphenyl)pentanamide | MFCD09948984 | SCHEMBL24420606

Standard CAS: 1016841-03-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1016841-03-4
Multi CAS
No
Molecular Formula
C13H17NO2
Molecular Weight
219.280000
Exact Mass
219.125929
SMILES
CCCCC(=O)NC1=CC=CC=C1C(=O)C
InChI
InChI=1S/C13H17NO2/c1-3-4-9-13(16)14-12-8-6-5-7-11(12)10(2)15/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKey
QTIIZXKGHCTSLY-UHFFFAOYSA-N
Synonyms
N-(2-acetylphenyl)pentanamide MFCD09948984 SCHEMBL24420606 AKOS000191938 AS-59914

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.6
TPSA
46.17

LogP / Solubility

WLOGP
3.02
MLOGP
2.66
XLogP3
2.9
Consensus LogP
2.86
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly 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)
-1.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us