[email protected]
CAS 119668-50-7 N N-DIETHYL-1H-INDOLE-1-CARBOXAMIDE 97 molecular structure lightbox
CAS RN: 119668-50-7

N N-DIETHYL-1H-INDOLE-1-CARBOXAMIDE 97

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250328 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS119668-50-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

119668-50-7 / N,N-diethylindole-1-carboxamide

N,N-Diethyl-1H-indole-1-carboxamide | DTXSID90457261 | RefChem:358936

Standard CAS: 119668-50-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119668-50-7
Multi CAS
No
Molecular Formula
C13H16N2O
Molecular Weight
216.280000
Exact Mass
216.126263
SMILES
CCN(CC)C(=O)N1C=CC2=CC=CC=C21
InChI
InChI=1S/C13H16N2O/c1-3-14(4-2)13(16)15-10-9-11-7-5-6-8-12(11)15/h5-10H,3-4H2,1-2H3
InChIKey
DNEILLNCDATSFX-UHFFFAOYSA-N
Synonyms
N,N-Diethyl-1H-indole-1-carboxamide DTXSID90457261 RefChem:358936 DTXCID80408080 631-444-9

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
65.65
TPSA
25.24

LogP / Solubility

WLOGP
2.95
MLOGP
2.6
XLogP3
2.6
Consensus LogP
2.72
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94

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

Customers Also Viewed

Get In Touch

Contact Us