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CAS 1174046-74-2 3-chloro-2-[(diphenylmethylene)amino]-4(1H)-Pyridinone molecular structure lightbox
CAS RN: 1174046-74-2

3-chloro-2-[(diphenylmethylene)amino]-4(1H)-Pyridinone

  • Product code: SSC-017274
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1174046-74-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1174046-74-2 / 2-(benzhydrylideneamino)-3-chloro-1H-pyridin-4-one

3-chloro-2-((diphenylmethylene)amino)pyridin-4(1H)-one | MFCD29052393 | 3-Chloro-2-[(diphenylmethylene)amino]pyridin-4(1H)-one

Standard CAS: 1174046-74-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1174046-74-2
Multi CAS
No
Molecular Formula
C18H13ClN2O
Molecular Weight
308.800000
Exact Mass
308.071641
SMILES
C1=CC=C(C=C1)C(=NC2=C(C(=O)C=CN2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C18H13ClN2O/c19-16-15(22)11-12-20-18(16)21-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H,(H,20,22)
InChIKey
GGUFWNBYZSSLIT-UHFFFAOYSA-N
Synonyms
3-chloro-2-((diphenylmethylene)amino)pyridin-4(1H)-one MFCD29052393 3-Chloro-2-[(diphenylmethylene)amino]pyridin-4(1H)-one 3-Chloro-2-(diphenylmethyleneamino)pyridin-4(1H)-one SCHEMBL699634

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
90.26
TPSA
45.22

LogP / Solubility

WLOGP
4.2
MLOGP
3.71
XLogP3
4.4
Consensus LogP
4.1
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.62

Drug-likeness / Medicinal Chemistry

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

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