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CAS 143360-00-3 N1-(4-BUTYL-2-METHYLPHENYL)ACETAMIDE molecular structure lightbox
CAS RN: 143360-00-3

N1-(4-BUTYL-2-METHYLPHENYL)ACETAMIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250830 2mg / 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS143360-00-3
  • Purity/Analytical Methods: >99.0%
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143360-00-3 / N-(4-butyl-2-methylphenyl)acetamide

Standard CAS: 143360-00-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
143360-00-3
Multi CAS
No
Molecular Formula
C13H19NO
Molecular Weight
205.300000
Exact Mass
205.146664
SMILES
CCCCC1=CC(=C(C=C1)NC(=O)C)C
InChI
InChI=1S/C13H19NO/c1-4-5-6-12-7-8-13(10(2)9-12)14-11(3)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKey
ZFVMECVBUGMWIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
64.09
TPSA
29.1

LogP / Solubility

WLOGP
3.3
MLOGP
2.9
XLogP3
3.1
Consensus LogP
3.1
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
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)
-1.63

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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