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CAS 2201839-83-8 2(1H)-Pyridinone, 4-(2-acetyl-5-chlorophenyl)-5-methoxy- molecular structure lightbox
CAS RN: 2201839-83-8

2(1H)-Pyridinone, 4-(2-acetyl-5-chlorophenyl)-5-methoxy-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250928 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-105908
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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: ＞97%
  • 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 2201839-83-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

2201839-83-8 / 4-(2-acetyl-5-chlorophenyl)-5-methoxy-1H-pyridin-2-one

Standard CAS: 2201839-83-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2201839-83-8
Multi CAS
No
Molecular Formula
C14H12ClNO3
Molecular Weight
277.700000
Exact Mass
277.050571
SMILES
CC(=O)C1=C(C=C(C=C1)Cl)C2=CC(=O)NC=C2OC
InChI
InChI=1S/C14H12ClNO3/c1-8(17)10-4-3-9(15)5-11(10)12-6-14(18)16-7-13(12)19-2/h3-7H,1-2H3,(H,16,18)
InChIKey
VANAIAIYRCEXDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.07
TPSA
59.16

LogP / Solubility

WLOGP
2.91
MLOGP
2.57
XLogP3
1.4
Consensus LogP
2.29
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly 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)
-2.35

Drug-likeness / Medicinal Chemistry

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

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