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CAS 4332-79-0 1-BENZYL-6-OXO-1,6-DIHYDRO-3-PYRIDINECARBOXYLIC ACID molecular structure lightbox
CAS RN: 4332-79-0

1-BENZYL-6-OXO-1,6-DIHYDRO-3-PYRIDINECARBOXYLIC ACID

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250312 100mg In stock Shanghai Inquiry
Batchno.20250504 1g In stock Shanghai Inquiry
Batchno.20260129 250mg In stock Shanghai Inquiry
Batchno.20251015 5g Out of stock Inquiry
  • Product code: SSC-151571
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4332-79-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

4332-79-0 / 1-benzyl-6-oxopyridine-3-carboxylic acid

Standard CAS: 4332-79-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4332-79-0
Multi CAS
No
Molecular Formula
C13H11NO3
Molecular Weight
229.230000
Exact Mass
229.073893
InChI
InChI=1S/C13H11NO3/c15-12-7-6-11(13(16)17)9-14(12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)
InChIKey
LDTBMEOGSQFGDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.21
TPSA
59.3

LogP / Solubility

WLOGP
1.59
MLOGP
1.41
XLogP3
1.1
Consensus LogP
1.37
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

Drug-likeness / Medicinal Chemistry

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

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