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CAS 61260-15-9 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid molecular structure lightbox
CAS RN: 61260-15-9

3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid

  • Product code: SSC-170051
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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, 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • 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 61260-15-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Shanghai Inquiry
10g ≥98% 5 In Stock Hong Kong Inquiry
25g ≥98% 2 In Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry
500g ≥98% 0 Out of Stock Shenzhen Inquiry

61260-15-9 / 3-dimethoxyphosphoryl-3H-2-benzofuran-1-one

Standard CAS: 61260-15-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61260-15-9
Multi CAS
Yes
Molecular Formula
C10H11O5P
Molecular Weight
242.160000
Exact Mass
242.034410
InChI
InChI=1S/C10H11O5P/c1-13-16(12,14-2)10-8-6-4-3-5-7(8)9(11)15-10/h3-6,10H,1-2H3
InChIKey
KEKUNQAVGWOYDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
56.22
TPSA
61.83

LogP / Solubility

WLOGP
2.34
MLOGP
2.07
XLogP3
0.4
Consensus LogP
1.6
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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