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CAS 140-73-8 N,N’-Dicinnamylidene-1,6-hexanediamine molecular structure lightbox
CAS RN: 140-73-8

N,N’-Dicinnamylidene-1,6-hexanediamine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260104 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Hebei 5-7 business days Inquiry
  • Product code: starshine_CAS140-73-8
  • Purity/Analytical Methods: >99.0%
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140-73-8 / N-[6-(cinnamylideneamino)hexyl]-3-phenylprop-2-en-1-imine

Standard CAS: 140-73-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
140-73-8
Multi CAS
No
Molecular Formula
C24H28N2
Molecular Weight
344.500000
Exact Mass
344.225249
SMILES
C1=CC=C(C=C1)C=CC=NCCCCCCN=CC=CC2=CC=CC=C2
InChI
InChI=1S/C24H28N2/c1(9-19-25-21-11-17-23-13-5-3-6-14-23)2-10-20-26-22-12-18-24-15-7-4-8-16-24/h3-8,11-18,21-22H,1-2,9-10,19-20H2
InChIKey
ATPFMBHTMKBVLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
116.14
TPSA
24.72

LogP / Solubility

WLOGP
6.12
MLOGP
5.4
XLogP3
5
Consensus LogP
5.51
Log S (ESOL)
-5.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (57.1%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (42.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (42.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H412 (14.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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