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CAS 119736-16-2 3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid molecular structure lightbox
CAS RN: 119736-16-2

3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250328 100g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260126 10g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250416 1kg In stock Shanghai Inquiry
Batchno.20250609 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260125 500g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260414 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-020477
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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: 1g, 5g, 10g, 25g, 100g, 1000g
  • Available purity: ≥95%
  • Inventory rows with stock: 10
  • 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 119736-16-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Hong Kong Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g -- 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
10g -- 3 In Stock Hong Kong Inquiry
10g ≥95% 3 In Stock Shenzhen Inquiry
25g -- 2 In Stock Beijing Inquiry
25g ≥95% 2 In Stock Shenzhen Inquiry
100g -- 1 In Stock Hong Kong Inquiry
100g ≥95% 1 In Stock Shanghai Inquiry
1000g -- 0 Out of Stock Shanghai Inquiry

119736-16-2 / 4-oxo-3-phenylmethoxypyran-2-carboxylic acid

3-(benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid | 4H-Pyran-2-carboxylic acid, 4-oxo-3-(phenylmethoxy)- | MFCD22741607

Standard CAS: 119736-16-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119736-16-2
Multi CAS
No
Molecular Formula
C13H10O5
Molecular Weight
246.210000
Exact Mass
246.052823
SMILES
C1=CC=C(C=C1)COC2=C(OC=CC2=O)C(=O)O
InChI
InChI=1S/C13H10O5/c14-10-6-7-17-12(13(15)16)11(10)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
InChIKey
KJSJBKBZMGSIPT-UHFFFAOYSA-N
Synonyms
3-(benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid 4H-Pyran-2-carboxylic acid, 4-oxo-3-(phenylmethoxy)- MFCD22741607 4-oxo-3-phenylmethoxypyran-2-carboxylic acid 4-Oxo-3-(phenylmethoxy)-4H-pyran-2-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.71
TPSA
76.74

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
1.5
Consensus LogP
1.7
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly 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)
-2.86

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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